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

C7H12O — CID 173388590

IUPAC5-methylhexa-2,4-dien-2-ol
SMILESCC(C)=CC=C(C)O
InChIInChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-5,8H,1-3H3
InChIKeyWZOVYASMDWPROS-UHFFFAOYSA-N
MW112.17 g/mol
LogP2.41
Rot. Bonds1

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

5-methylhexa-2,4-dien-2-ol (PubChem CID 173388590) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 5-methylhexa-2,4-dien-2-ol.

Molecular Properties

Compound Name5-methylhexa-2,4-dien-2-ol
PubChem CID173388590
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name5-methylhexa-2,4-dien-2-ol
SMILESCC(C)=CC=C(C)O
InChIInChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-5,8H,1-3H3
InChIKeyWZOVYASMDWPROS-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-penta-1,3-diene-1,1,4-triol
CID 167098733
(2E)-2,5-dimethylhexa-2,4-dienoic acid
CID 18632121
(3E,5E)-hepta-1,3,5-triene-2,3,6-triol
CID 89317612
(2E,4E)-2-ethyl-5-hydroxyhexa-2,4-dienoic acid
CID 142196087
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
(2E,4E)-5-hydroxy-2-methylhexa-2,4-dienenitrile
CID 167184746
2-(3-hydroxybut-2-enylidene)propanedinitrile
CID 71439504
2,4,7-trimethylocta-2,4,6-triene
CID 162298746
3-(3-methylbut-2-enylidene)pentane-2,4-dione
CID 12500717
(3E)-3-amino-6-methylhepta-1,3,5-trien-2-ol
CID 170407811
acetic acid;2-methylbut-2-ene
CID 155128325
(1E)-1-chloro-1-fluoro-4-methylpenta-1,3-diene
CID 87088644

Frequently Asked Questions

What is the IUPAC name of 5-methylhexa-2,4-dien-2-ol?
The IUPAC name of 5-methylhexa-2,4-dien-2-ol (CID 173388590) is 5-methylhexa-2,4-dien-2-ol.
What is the SMILES notation for 5-methylhexa-2,4-dien-2-ol?
The canonical SMILES for 5-methylhexa-2,4-dien-2-ol is CC(C)=CC=C(C)O.
What is the InChIKey of 5-methylhexa-2,4-dien-2-ol?
The InChIKey is WZOVYASMDWPROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-5,8H,1-3H3.
What are the key properties of 5-methylhexa-2,4-dien-2-ol?
5-methylhexa-2,4-dien-2-ol has a molecular weight of 112.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexa-2,4-dien-2-ol is sourced from PubChem (CID 173388590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).