3-methylidenehexan-2-ol

C7H14O — CID 15935716

IUPAC3-methylidenehexan-2-ol
SMILESC=C(CCC)C(C)O
InChIInChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h7-8H,2,4-5H2,1,3H3
InChIKeyJRBBQWCFMZIDIS-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.72
Rot. Bonds3

About 3-methylidenehexan-2-ol

3-methylidenehexan-2-ol (PubChem CID 15935716) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-methylidenehexan-2-ol.

Molecular Properties

Compound Name3-methylidenehexan-2-ol
PubChem CID15935716
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name3-methylidenehexan-2-ol
SMILESC=C(CCC)C(C)O
InChIInChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h7-8H,2,4-5H2,1,3H3
InChIKeyJRBBQWCFMZIDIS-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methylidenehexan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylidenehexan-2-ol?
The IUPAC name of 3-methylidenehexan-2-ol (CID 15935716) is 3-methylidenehexan-2-ol.
What is the SMILES notation for 3-methylidenehexan-2-ol?
The canonical SMILES for 3-methylidenehexan-2-ol is C=C(CCC)C(C)O.
What is the InChIKey of 3-methylidenehexan-2-ol?
The InChIKey is JRBBQWCFMZIDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h7-8H,2,4-5H2,1,3H3.
What are the key properties of 3-methylidenehexan-2-ol?
3-methylidenehexan-2-ol has a molecular weight of 114.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenehexan-2-ol is sourced from PubChem (CID 15935716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).