(5E)-5-ethenylocta-1,5,7-trien-4-one

C10H12O — CID 90463748

IUPAC(5E)-5-ethenylocta-1,5,7-trien-4-one
SMILESC=C/C=C(\C=C)C(=O)CC=C
InChIInChI=1S/C10H12O/c1-4-7-9(6-3)10(11)8-5-2/h4-7H,1-3,8H2/b9-7+
InChIKeyCICZZCDAXUOFRI-VQHVLOKHSA-N
MW148.20 g/mol
LogP2.43
Rot. Bonds5

About (5E)-5-ethenylocta-1,5,7-trien-4-one

(5E)-5-ethenylocta-1,5,7-trien-4-one (PubChem CID 90463748) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (5E)-5-ethenylocta-1,5,7-trien-4-one.

Molecular Properties

Compound Name(5E)-5-ethenylocta-1,5,7-trien-4-one
PubChem CID90463748
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(5E)-5-ethenylocta-1,5,7-trien-4-one
SMILESC=C/C=C(\C=C)C(=O)CC=C
InChIInChI=1S/C10H12O/c1-4-7-9(6-3)10(11)8-5-2/h4-7H,1-3,8H2/b9-7+
InChIKeyCICZZCDAXUOFRI-VQHVLOKHSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-ethenylpenta-2,4-dienethioic S-acid
CID 142851404
2-ethenyl-N,N-diethylpenta-2,4-dienamide
CID 91586528
ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
(2E)-2-ethenyl-N,N-dimethylpenta-2,4-dienamide
CID 142465051
(3E)-3-ethenyl-1-(5-phenyl-2-pyridinyl)hexa-3,5-dien-2-one
CID 144927496
azanium but-3-enoate
CID 87111540
carbonic acid;4,5-dichloroocta-1,4,7-triene
CID 173029728
ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
CID 143734508
ethane;(3E,6E)-6-ethenyl-9-methyl-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 144664030
(propanoylamino) (2E)-2-ethenylpenta-2,4-dienoate
CID 142213114
pentyl (2E)-2-ethenylpenta-2,4-dienoate
CID 144992758
but-3-enoic acid;sulfuric acid
CID 87373537

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethenylocta-1,5,7-trien-4-one?
The IUPAC name of (5E)-5-ethenylocta-1,5,7-trien-4-one (CID 90463748) is (5E)-5-ethenylocta-1,5,7-trien-4-one.
What is the SMILES notation for (5E)-5-ethenylocta-1,5,7-trien-4-one?
The canonical SMILES for (5E)-5-ethenylocta-1,5,7-trien-4-one is C=C/C=C(\C=C)C(=O)CC=C.
What is the InChIKey of (5E)-5-ethenylocta-1,5,7-trien-4-one?
The InChIKey is CICZZCDAXUOFRI-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H12O/c1-4-7-9(6-3)10(11)8-5-2/h4-7H,1-3,8H2/b9-7+.
What are the key properties of (5E)-5-ethenylocta-1,5,7-trien-4-one?
(5E)-5-ethenylocta-1,5,7-trien-4-one has a molecular weight of 148.20 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethenylocta-1,5,7-trien-4-one is sourced from PubChem (CID 90463748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).