3,5-diethyloctane-3,6-diol

C12H26O2 — CID 87744706

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

About 3,5-diethyloctane-3,6-diol

3,5-diethyloctane-3,6-diol (PubChem CID 87744706) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3,5-diethyloctane-3,6-diol.

Molecular Properties

Compound Name3,5-diethyloctane-3,6-diol
PubChem CID87744706
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3,5-diethyloctane-3,6-diol
SMILESCCC(O)C(CC)CC(O)(CC)CC
InChIInChI=1S/C12H26O2/c1-5-10(11(13)6-2)9-12(14,7-3)8-4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyWNIDEUZMSLWQPP-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

3,5-diethylheptane-2,5-diol
CID 114496696
3,5-diethylheptan-3-ol
CID 82929105
ethane;4-ethylhexan-3-ol
CID 142939598
6-ethyl-3-methylnonane-4,6-diol
CID 87743551
methyl (3S,4S,6S,10S)-4,6,10-triethyl-3,6-dihydroxytetradecanoate
CID 23247336
5-ethyl-7-methylnonane-3,5-diol
CID 87744133
4-ethylnonan-3-ol
CID 135150430
sodium;3-ethylpentan-3-ol;hydride
CID 174311267
4-amino-5,5-dimethylhexan-3-ol
CID 164650293
4,6-diethylnonan-4-ol
CID 123321409
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
pentane-1,1,1,3-tetrol
CID 176711420

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyloctane-3,6-diol?
The IUPAC name of 3,5-diethyloctane-3,6-diol (CID 87744706) is 3,5-diethyloctane-3,6-diol.
What is the SMILES notation for 3,5-diethyloctane-3,6-diol?
The canonical SMILES for 3,5-diethyloctane-3,6-diol is CCC(O)C(CC)CC(O)(CC)CC.
What is the InChIKey of 3,5-diethyloctane-3,6-diol?
The InChIKey is WNIDEUZMSLWQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-10(11(13)6-2)9-12(14,7-3)8-4/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 3,5-diethyloctane-3,6-diol?
3,5-diethyloctane-3,6-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 3,5-diethyloctane-3,6-diol is sourced from PubChem (CID 87744706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).