2,5-dimethylhex-4-en-3-ol

C8H16O — CID 558895

IUPAC2,5-dimethylhex-4-en-3-ol
SMILESCC(C)=CC(O)C(C)C
InChIInChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h5,7-9H,1-4H3
InChIKeySUGIOGWYXCYSMP-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds2

About 2,5-dimethylhex-4-en-3-ol

2,5-dimethylhex-4-en-3-ol (PubChem CID 558895) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 2,5-dimethylhex-4-en-3-ol.

Molecular Properties

Compound Name2,5-dimethylhex-4-en-3-ol
PubChem CID558895
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name2,5-dimethylhex-4-en-3-ol
SMILESCC(C)=CC(O)C(C)C
InChIInChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h5,7-9H,1-4H3
InChIKeySUGIOGWYXCYSMP-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-dimethylhex-4-en-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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhex-4-en-3-ol?
The IUPAC name of 2,5-dimethylhex-4-en-3-ol (CID 558895) is 2,5-dimethylhex-4-en-3-ol.
What is the SMILES notation for 2,5-dimethylhex-4-en-3-ol?
The canonical SMILES for 2,5-dimethylhex-4-en-3-ol is CC(C)=CC(O)C(C)C.
What is the InChIKey of 2,5-dimethylhex-4-en-3-ol?
The InChIKey is SUGIOGWYXCYSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h5,7-9H,1-4H3.
What are the key properties of 2,5-dimethylhex-4-en-3-ol?
2,5-dimethylhex-4-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-4-en-3-ol is sourced from PubChem (CID 558895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).