2-methylhexa-4,5-dien-3-ol

C7H12O — CID 10986182

IUPAC2-methylhexa-4,5-dien-3-ol
SMILESC=C=CC(O)C(C)C
InChIInChI=1S/C7H12O/c1-4-5-7(8)6(2)3/h5-8H,1H2,2-3H3
InChIKeyUPSSKUPOXPIJLM-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.34
Rot. Bonds2

About 2-methylhexa-4,5-dien-3-ol

2-methylhexa-4,5-dien-3-ol (PubChem CID 10986182) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-methylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name2-methylhexa-4,5-dien-3-ol
PubChem CID10986182
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-methylhexa-4,5-dien-3-ol
SMILESC=C=CC(O)C(C)C
InChIInChI=1S/C7H12O/c1-4-5-7(8)6(2)3/h5-8H,1H2,2-3H3
InChIKeyUPSSKUPOXPIJLM-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methylhexa-4,5-dien-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

4-propa-1,2-dienyl-3-propan-2-ylhepta-1,2,5,6-tetraene
CID 123917217
6-methylhepta-1,2-dien-4-ol
CID 11615166
azane;4-methylpent-1-en-3-ol
CID 175575018
7-bromo-2,6-dimethylhepta-4,5-dien-3-ol
CID 11241439
(3E)-3,4-dimethylnona-3,7,8-trien-5-yn-2-ol
CID 134897939
2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride
CID 174496113
N,N-diethylpenta-3,4-dien-2-amine
CID 57131566
4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid
CID 91384917
1-Cyclopentylbuta-2,3-dien-1-ol
CID 130128608
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150
2-methylhept-4-en-3-ol
CID 54499499
[(2S,3S)-3-hydroxynonadeca-4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-pentadecaen-2-yl]azanium;molecular hydrogen;chloride
CID 159353253

Frequently Asked Questions

What is the IUPAC name of 2-methylhexa-4,5-dien-3-ol?
The IUPAC name of 2-methylhexa-4,5-dien-3-ol (CID 10986182) is 2-methylhexa-4,5-dien-3-ol.
What is the SMILES notation for 2-methylhexa-4,5-dien-3-ol?
The canonical SMILES for 2-methylhexa-4,5-dien-3-ol is C=C=CC(O)C(C)C.
What is the InChIKey of 2-methylhexa-4,5-dien-3-ol?
The InChIKey is UPSSKUPOXPIJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-4-5-7(8)6(2)3/h5-8H,1H2,2-3H3.
What are the key properties of 2-methylhexa-4,5-dien-3-ol?
2-methylhexa-4,5-dien-3-ol has a molecular weight of 112.17 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexa-4,5-dien-3-ol is sourced from PubChem (CID 10986182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).