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

C8H16O — CID 552025

IUPAC3,4-dimethylhex-5-en-3-ol
SMILESC=CC(C)C(C)(O)CC
InChIInChI=1S/C8H16O/c1-5-7(3)8(4,9)6-2/h5,7,9H,1,6H2,2-4H3
InChIKeyVQOIEBBAEXCVRV-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

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

3,4-dimethylhex-5-en-3-ol (PubChem CID 552025) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3,4-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name3,4-dimethylhex-5-en-3-ol
PubChem CID552025
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3,4-dimethylhex-5-en-3-ol
SMILESC=CC(C)C(C)(O)CC
InChIInChI=1S/C8H16O/c1-5-7(3)8(4,9)6-2/h5,7,9H,1,6H2,2-4H3
InChIKeyVQOIEBBAEXCVRV-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 3,4-dimethylhex-5-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

Related Compounds

3-Methyl-5-hexen-3-ol
CID 15288
4-Methyl-1,6-heptadien-4-ol
CID 32837
4-Allyl-1,6-heptadien-4-ol
CID 139107
4-Methyl-1-hepten-4-ol
CID 136921
3-Ethyl-5-hexen-3-ol
CID 137255
2,3-Dimethylpent-4-en-2-ol
CID 260379
1,6-Heptadien-4-ol, 4-ethyl-
CID 40588
4-Propylhept-1-en-4-ol
CID 551382
3-Tert-butyl-2,2,4-trimethylhex-5-en-3-ol
CID 10888893
4-Propyl-1,6-heptadien-4-ol
CID 142990
2,3-Dimethyl-5-hexen-2-ol
CID 85958390
3-Ethyl-4-methyl-5-hexen-3-ol
CID 12431763

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhex-5-en-3-ol?
The IUPAC name of 3,4-dimethylhex-5-en-3-ol (CID 552025) is 3,4-dimethylhex-5-en-3-ol.
What is the SMILES notation for 3,4-dimethylhex-5-en-3-ol?
The canonical SMILES for 3,4-dimethylhex-5-en-3-ol is C=CC(C)C(C)(O)CC.
What is the InChIKey of 3,4-dimethylhex-5-en-3-ol?
The InChIKey is VQOIEBBAEXCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-7(3)8(4,9)6-2/h5,7,9H,1,6H2,2-4H3.
What are the key properties of 3,4-dimethylhex-5-en-3-ol?
3,4-dimethylhex-5-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhex-5-en-3-ol is sourced from PubChem (CID 552025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).