(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one

C10H12O — CID 129142506

IUPAC(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
SMILESC=C/C=C\C=C(/C=C)C(C)=O
InChIInChI=1S/C10H12O/c1-4-6-7-8-10(5-2)9(3)11/h4-8H,1-2H2,3H3/b7-6-,10-8+
InChIKeyCSQPTCSYPXQKOM-VAAURPRASA-N
MW148.20 g/mol
LogP2.43
Rot. Bonds4

About (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one

(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one (PubChem CID 129142506) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one.

Molecular Properties

Compound Name(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
PubChem CID129142506
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
SMILESC=C/C=C\C=C(/C=C)C(C)=O
InChIInChI=1S/C10H12O/c1-4-6-7-8-10(5-2)9(3)11/h4-8H,1-2H2,3H3/b7-6-,10-8+
InChIKeyCSQPTCSYPXQKOM-VAAURPRASA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-2-ethenylhepta-2,4,6-trienoic acid
CID 129259251
methyl 2-ethenylhepta-2,4,6-trienoate
CID 91067832
(E)-3-ethenyl-5-ethyliminopent-3-en-2-one
CID 89374290
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
(3E,5E)-3-ethenyl-6-ethoxyhepta-3,5-dien-2-one
CID 89136011
6-bromohepta-1,3,5-triene
CID 123654102
(3E)-3-(methoxymethylidene)pent-4-en-2-one
CID 71507795
ethane;(3E)-3-ethenyl-5-hydroxyhexa-3,5-dien-2-one
CID 169155574
(3E,5Z)-3-methylocta-3,5,7-trien-1-ol
CID 89264860
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
(E)-3-ethenyl-5-(methylamino)pent-3-en-2-one
CID 143379688
6-methoxyhepta-1,3,5-triene
CID 90882924

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one?
The IUPAC name of (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one (CID 129142506) is (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one.
What is the SMILES notation for (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one?
The canonical SMILES for (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one is C=C/C=C\C=C(/C=C)C(C)=O.
What is the InChIKey of (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one?
The InChIKey is CSQPTCSYPXQKOM-VAAURPRASA-N. The full InChI is InChI=1S/C10H12O/c1-4-6-7-8-10(5-2)9(3)11/h4-8H,1-2H2,3H3/b7-6-,10-8+.
What are the key properties of (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one?
(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one has a molecular weight of 148.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethenylocta-3,5,7-trien-2-one is sourced from PubChem (CID 129142506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).