3-ethylpentane-1,3-diol

C7H16O2 — CID 12709667

IUPAC3-ethylpentane-1,3-diol
SMILESCCC(O)(CC)CCO
InChIInChI=1S/C7H16O2/c1-3-7(9,4-2)5-6-8/h8-9H,3-6H2,1-2H3
InChIKeyLHHAIANRJLAQAE-UHFFFAOYSA-N
MW132.20 g/mol
LogP0.92
Rot. Bonds4

About 3-ethylpentane-1,3-diol

3-ethylpentane-1,3-diol (PubChem CID 12709667) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 3-ethylpentane-1,3-diol.

Molecular Properties

Compound Name3-ethylpentane-1,3-diol
PubChem CID12709667
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name3-ethylpentane-1,3-diol
SMILESCCC(O)(CC)CCO
InChIInChI=1S/C7H16O2/c1-3-7(9,4-2)5-6-8/h8-9H,3-6H2,1-2H3
InChIKeyLHHAIANRJLAQAE-UHFFFAOYSA-N
XLogP0.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpentane-1,3-diol?
The IUPAC name of 3-ethylpentane-1,3-diol (CID 12709667) is 3-ethylpentane-1,3-diol.
What is the SMILES notation for 3-ethylpentane-1,3-diol?
The canonical SMILES for 3-ethylpentane-1,3-diol is CCC(O)(CC)CCO.
What is the InChIKey of 3-ethylpentane-1,3-diol?
The InChIKey is LHHAIANRJLAQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-3-7(9,4-2)5-6-8/h8-9H,3-6H2,1-2H3.
What are the key properties of 3-ethylpentane-1,3-diol?
3-ethylpentane-1,3-diol has a molecular weight of 132.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentane-1,3-diol is sourced from PubChem (CID 12709667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).