3,5-diethyloctane-1,5-diol

C12H26O2 — CID 87743708

IUPAC3,5-diethyloctane-1,5-diol
SMILESCCCC(O)(CC)CC(CC)CCO
InChIInChI=1S/C12H26O2/c1-4-8-12(14,6-3)10-11(5-2)7-9-13/h11,13-14H,4-10H2,1-3H3
InChIKeyZVPULKZUMKPPPB-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.73
Rot. Bonds8

About 3,5-diethyloctane-1,5-diol

3,5-diethyloctane-1,5-diol (PubChem CID 87743708) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3,5-diethyloctane-1,5-diol.

Molecular Properties

Compound Name3,5-diethyloctane-1,5-diol
PubChem CID87743708
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3,5-diethyloctane-1,5-diol
SMILESCCCC(O)(CC)CC(CC)CCO
InChIInChI=1S/C12H26O2/c1-4-8-12(14,6-3)10-11(5-2)7-9-13/h11,13-14H,4-10H2,1-3H3
InChIKeyZVPULKZUMKPPPB-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-diethyloctane-1,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-diethylnonan-4-ol
CID 123321409
2,5-diethyloctane-1,2-diol
CID 87744729
2,4-diethyloctane-1,4-diol
CID 87744704
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol
CID 114493384
3,5-diethylheptan-3-ol
CID 82929105
6-ethyl-3-methylnonane-4,6-diol
CID 87743551
3,5,8-triethyldecane-1,10-diol
CID 87065848
(3R)-3-ethylhexane-1,6-diol
CID 118889856
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
3-(bromomethyl)pentan-1-ol
CID 87203201
3,6-diethylnonane-1,9-diol
CID 19787583
2,2-diethylpropane-1,3-diol;3-propylpentane-1,5-diol
CID 159824502

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyloctane-1,5-diol?
The IUPAC name of 3,5-diethyloctane-1,5-diol (CID 87743708) is 3,5-diethyloctane-1,5-diol.
What is the SMILES notation for 3,5-diethyloctane-1,5-diol?
The canonical SMILES for 3,5-diethyloctane-1,5-diol is CCCC(O)(CC)CC(CC)CCO.
What is the InChIKey of 3,5-diethyloctane-1,5-diol?
The InChIKey is ZVPULKZUMKPPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-8-12(14,6-3)10-11(5-2)7-9-13/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 3,5-diethyloctane-1,5-diol?
3,5-diethyloctane-1,5-diol has a molecular weight of 202.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyloctane-1,5-diol is sourced from PubChem (CID 87743708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).