3,8-dimethyldecane-3,7-diol

C12H26O2 — CID 87743565

IUPAC3,8-dimethyldecane-3,7-diol
SMILESCCC(C)C(O)CCCC(C)(O)CC
InChIInChI=1S/C12H26O2/c1-5-10(3)11(13)8-7-9-12(4,14)6-2/h10-11,13-14H,5-9H2,1-4H3
InChIKeyFZBXEJXFWBCTFE-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.72
Rot. Bonds7

About 3,8-dimethyldecane-3,7-diol

3,8-dimethyldecane-3,7-diol (PubChem CID 87743565) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3,8-dimethyldecane-3,7-diol.

Molecular Properties

Compound Name3,8-dimethyldecane-3,7-diol
PubChem CID87743565
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3,8-dimethyldecane-3,7-diol
SMILESCCC(C)C(O)CCCC(C)(O)CC
InChIInChI=1S/C12H26O2/c1-5-10(3)11(13)8-7-9-12(4,14)6-2/h10-11,13-14H,5-9H2,1-4H3
InChIKeyFZBXEJXFWBCTFE-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158561904
6-ethyl-3-methylnonane-4,6-diol
CID 87743551
6-hydroxy-2,6-dimethyloctanoate
CID 59271296
6-methoxy-3-methylhexan-3-ol
CID 114851780
sodium;hydride;3-methylheptan-3-ol
CID 175497399
3-methylnonan-4-ol;nonan-4-ol
CID 18968461
2,7,7-trimethylnonan-3-ol
CID 162360269
(3S,10S,13S)-13-ethyl-3,10-dimethylhexadecan-3-ol
CID 155226811
(3S,7S)-1-bromo-3-ethyl-11-hydroxy-4,7,11-trimethyltridecan-2-one
CID 167106408
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol
CID 137467653
3-methyl-1-methylsulfanylpentan-2-ol
CID 79444760

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyldecane-3,7-diol?
The IUPAC name of 3,8-dimethyldecane-3,7-diol (CID 87743565) is 3,8-dimethyldecane-3,7-diol.
What is the SMILES notation for 3,8-dimethyldecane-3,7-diol?
The canonical SMILES for 3,8-dimethyldecane-3,7-diol is CCC(C)C(O)CCCC(C)(O)CC.
What is the InChIKey of 3,8-dimethyldecane-3,7-diol?
The InChIKey is FZBXEJXFWBCTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-10(3)11(13)8-7-9-12(4,14)6-2/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 3,8-dimethyldecane-3,7-diol?
3,8-dimethyldecane-3,7-diol has a molecular weight of 202.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyldecane-3,7-diol is sourced from PubChem (CID 87743565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).