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10022-28-3,MFCD00036644
Catalog No.:AA00017Q
10022-28-3 | 1,1-Dimethoxyoctane
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Technical Information
Catalog Number:
AA00017Q
Chemical Name:
1,1-Dimethoxyoctane
CAS Number:
10022-28-3
Molecular Formula:
C10H22O2
Molecular Weight:
174.2805
MDL Number:
MFCD00036644
IUPAC Name:
1,1-dimethoxyoctane
InChI:
InChI=1S/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3
InChI Key:
BZOOCKAFKVYAOZ-UHFFFAOYSA-N
SMILES:
CCCCCCCC(OC)OC
EC Number:
233-018-4
UNII:
OD5I84ZHFV
FEMA Number:
2798
Properties
Computed Properties
 
Complexity:
79.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.162g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.284g/mol
Monoisotopic Mass:
174.162g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
octanal dimethyl acetal 
1,1-Dimethoxyoctane 
1,1-dimethoxy-octane 
n-Octyl Aldehyde Dimethyl Acetal 
OD5I84ZHFV 
W-109003 
FEMA No. 2798 
EINECS 233-018-4 
n-OctanalDimethylAcetal 
ACMC-1CUKZ 
1,1-Dimethoxyoctane # 
AI3-36021 
10022-28-3 
n-Octyl aldehyde dimethyl 
AC1L1V7X 
1,1-Dimethoxyoctane, 9CI 
DSSTox_CID_27520 
DSSTox_GSID_47520 
SCHEMBL733379 
N-Octyl aldehyde dimethylacetal 
DTXSID1047520 
BZOOCKAFKVYAOZ-UHFFFAOYSA- 
CTK0H6489 
Octanal dimethyl acetal 
FEMA 2798 
BZOOCKAFKVYAOZ-UHFFFAOYSA-N 
KS-000017GU 
ZINC1850785 
Tox21_303766 
ANW-14191 
MFCD00036644 
AKOS015901958 
NCGC00357060-01 
AN-19521 
Octane, 1,1-dimethoxy- 
S997 
AX8145322 
CAS-10022-28-3 
RT-001046 
FT-0707907 
O0175 
ST24026715 
C-52161 
I14-13597 
InChI=1/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3 
n-Octanal dimethyl acetal 
1,1 - dimethoxyoctane 
Octanal, dimethyl acetal 
C10H22O2 
CID61431 
C10-H22-O2 
C-8 Dimethylacetal 
UNII-OD5I84ZHFV 
Octaldehyde dimethyl acetal 
Caprylaldehyde dimethyl acetal 
Literature
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