3-ethylpenta-1,4-dien-3-ol

C7H12O — CID 131852756

IUPAC3-ethylpenta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)CC
InChIInChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h4-5,8H,1-2,6H2,3H3
InChIKeyLYFTVKUSPPJHKO-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.50
Rot. Bonds3

About 3-ethylpenta-1,4-dien-3-ol

3-ethylpenta-1,4-dien-3-ol (PubChem CID 131852756) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-ethylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name3-ethylpenta-1,4-dien-3-ol
PubChem CID131852756
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-ethylpenta-1,4-dien-3-ol
SMILESC=CC(O)(C=C)CC
InChIInChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h4-5,8H,1-2,6H2,3H3
InChIKeyLYFTVKUSPPJHKO-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-ethyl-3-methylhex-1-ene;propane-2,2-diol
CID 155705363
3-ethyl-4,4-dimethylpent-1-en-3-ol
CID 91529318
3-ethenylpent-4-ene-1,3-diol
CID 57295100
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
1,1-diiodopropan-1-ol
CID 54306694
3-hydroxypent-1-ene-3-sulfonic acid
CID 141483344
3-ethylhex-1-en-4-yn-3-ol
CID 154292817
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
3,3,6,6-tetramethylocta-1,4-diene
CID 123152058
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
3,3-dimethylpent-1-ene;ethane
CID 142059460

Frequently Asked Questions

What is the IUPAC name of 3-ethylpenta-1,4-dien-3-ol?
The IUPAC name of 3-ethylpenta-1,4-dien-3-ol (CID 131852756) is 3-ethylpenta-1,4-dien-3-ol.
What is the SMILES notation for 3-ethylpenta-1,4-dien-3-ol?
The canonical SMILES for 3-ethylpenta-1,4-dien-3-ol is C=CC(O)(C=C)CC.
What is the InChIKey of 3-ethylpenta-1,4-dien-3-ol?
The InChIKey is LYFTVKUSPPJHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h4-5,8H,1-2,6H2,3H3.
What are the key properties of 3-ethylpenta-1,4-dien-3-ol?
3-ethylpenta-1,4-dien-3-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 3-ethylpenta-1,4-dien-3-ol is sourced from PubChem (CID 131852756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).