4-ethylnona-1,4,5-trien-3-ol

C11H18O — CID 134981827

IUPAC4-ethylnona-1,4,5-trien-3-ol
SMILESC=CC(O)C(=C=CCCC)CC
InChIInChI=1S/C11H18O/c1-4-7-8-9-10(5-2)11(12)6-3/h6,8,11-12H,3-5,7H2,1-2H3
InChIKeyCNYZOAQDFAAZAK-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.82
Rot. Bonds5

About 4-ethylnona-1,4,5-trien-3-ol

4-ethylnona-1,4,5-trien-3-ol (PubChem CID 134981827) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-ethylnona-1,4,5-trien-3-ol.

Molecular Properties

Compound Name4-ethylnona-1,4,5-trien-3-ol
PubChem CID134981827
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-ethylnona-1,4,5-trien-3-ol
SMILESC=CC(O)C(=C=CCCC)CC
InChIInChI=1S/C11H18O/c1-4-7-8-9-10(5-2)11(12)6-3/h6,8,11-12H,3-5,7H2,1-2H3
InChIKeyCNYZOAQDFAAZAK-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.82
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

1-Octen-3-Ol
CID 18827
1-Hexen-3-Ol
CID 20928
6-Methyl-5-hepten-2-ol
CID 20745
Ipsdienol
CID 92301
(R)-oct-1-en-3-ol
CID 6992244
2-Methyl-1-penten-3-ol
CID 16399
(S)-1-Octen-3-ol
CID 2724898
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
4-Methyl-4E-hepten-3-ol
CID 5368945
2,6-Dimethyl-2,6-undecadien-10-ol
CID 5370125
2-Methylhexa-1,5-dien-3-ol
CID 140185

Frequently Asked Questions

What is the IUPAC name of 4-ethylnona-1,4,5-trien-3-ol?
The IUPAC name of 4-ethylnona-1,4,5-trien-3-ol (CID 134981827) is 4-ethylnona-1,4,5-trien-3-ol.
What is the SMILES notation for 4-ethylnona-1,4,5-trien-3-ol?
The canonical SMILES for 4-ethylnona-1,4,5-trien-3-ol is C=CC(O)C(=C=CCCC)CC.
What is the InChIKey of 4-ethylnona-1,4,5-trien-3-ol?
The InChIKey is CNYZOAQDFAAZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-7-8-9-10(5-2)11(12)6-3/h6,8,11-12H,3-5,7H2,1-2H3.
What are the key properties of 4-ethylnona-1,4,5-trien-3-ol?
4-ethylnona-1,4,5-trien-3-ol has a molecular weight of 166.26 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylnona-1,4,5-trien-3-ol is sourced from PubChem (CID 134981827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).