3,5-diethylheptan-3-ol

C11H24O — CID 82929105

IUPAC3,5-diethylheptan-3-ol
SMILESCCC(CC)CC(O)(CC)CC
InChIInChI=1S/C11H24O/c1-5-10(6-2)9-11(12,7-3)8-4/h10,12H,5-9H2,1-4H3
InChIKeyYUTSPNRKKFVVLK-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.36
Rot. Bonds6

About 3,5-diethylheptan-3-ol

3,5-diethylheptan-3-ol (PubChem CID 82929105) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 3,5-diethylheptan-3-ol.

Molecular Properties

Compound Name3,5-diethylheptan-3-ol
PubChem CID82929105
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name3,5-diethylheptan-3-ol
SMILESCCC(CC)CC(O)(CC)CC
InChIInChI=1S/C11H24O/c1-5-10(6-2)9-11(12,7-3)8-4/h10,12H,5-9H2,1-4H3
InChIKeyYUTSPNRKKFVVLK-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-diethylheptan-3-ol 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

6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
CID 114865537
4,6-diethylnonan-4-ol
CID 123321409
3,5-diethyloctane-1,5-diol
CID 87743708
3,5-diethyloctane-3,6-diol
CID 87744706
3,5-diethylheptane-2,5-diol
CID 114496696
2,4-diethyloctane-1,4-diol
CID 87744704
4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 89360060
2,5-diethyloctane-1,2-diol
CID 87744729
sodium;3-ethylpentan-3-ol;hydride
CID 174311267
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol
CID 114493384
7-ethyl-3-methylnonane-3,5-diol
CID 87744147
6-ethyl-3-methylnonane-4,6-diol
CID 87743551

Frequently Asked Questions

What is the IUPAC name of 3,5-diethylheptan-3-ol?
The IUPAC name of 3,5-diethylheptan-3-ol (CID 82929105) is 3,5-diethylheptan-3-ol.
What is the SMILES notation for 3,5-diethylheptan-3-ol?
The canonical SMILES for 3,5-diethylheptan-3-ol is CCC(CC)CC(O)(CC)CC.
What is the InChIKey of 3,5-diethylheptan-3-ol?
The InChIKey is YUTSPNRKKFVVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-10(6-2)9-11(12,7-3)8-4/h10,12H,5-9H2,1-4H3.
What are the key properties of 3,5-diethylheptan-3-ol?
3,5-diethylheptan-3-ol has a molecular weight of 172.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylheptan-3-ol is sourced from PubChem (CID 82929105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).