4-methylidenehex-5-en-2-ol

C7H12O — CID 13427514

IUPAC4-methylidenehex-5-en-2-ol
SMILESC=CC(=C)CC(C)O
InChIInChI=1S/C7H12O/c1-4-6(2)5-7(3)8/h4,7-8H,1-2,5H2,3H3
InChIKeyHHQQFJVNLOLQAM-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.50
Rot. Bonds3

About 4-methylidenehex-5-en-2-ol

4-methylidenehex-5-en-2-ol (PubChem CID 13427514) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 4-methylidenehex-5-en-2-ol.

Molecular Properties

Compound Name4-methylidenehex-5-en-2-ol
PubChem CID13427514
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name4-methylidenehex-5-en-2-ol
SMILESC=CC(=C)CC(C)O
InChIInChI=1S/C7H12O/c1-4-6(2)5-7(3)8/h4,7-8H,1-2,5H2,3H3
InChIKeyHHQQFJVNLOLQAM-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-aminopent-4-en-2-ol
CID 88961101
3-ethenyl-5-methylidenehepta-1,6-diene
CID 100997926
2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine
CID 14644963
7-methyl-3,6-dimethylideneoct-1-ene
CID 102247656
3-methylidenepent-1-ene
CID 18850
2-methoxy-5-methylidenehepta-1,6-dien-3-amine
CID 156745575
(2R,4Z,6Z)-4-ethenyl-5-methylocta-4,6-dien-2-ol
CID 143045895
ethenyl 4-hydroxy-2-methylidenepentanoate
CID 57123538
butyl (2R)-2-hydroxy-4-methylidenehex-5-enoate
CID 165353919
propane-1,2-diol;bis(prop-1-ene)
CID 87325568
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
prop-2-enyl 3-hydroxybutanoate
CID 14360290

Frequently Asked Questions

What is the IUPAC name of 4-methylidenehex-5-en-2-ol?
The IUPAC name of 4-methylidenehex-5-en-2-ol (CID 13427514) is 4-methylidenehex-5-en-2-ol.
What is the SMILES notation for 4-methylidenehex-5-en-2-ol?
The canonical SMILES for 4-methylidenehex-5-en-2-ol is C=CC(=C)CC(C)O.
What is the InChIKey of 4-methylidenehex-5-en-2-ol?
The InChIKey is HHQQFJVNLOLQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-4-6(2)5-7(3)8/h4,7-8H,1-2,5H2,3H3.
What are the key properties of 4-methylidenehex-5-en-2-ol?
4-methylidenehex-5-en-2-ol has a molecular weight of 112.17 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenehex-5-en-2-ol is sourced from PubChem (CID 13427514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).