(3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one

C10H10O — CID 134873879

IUPAC(3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one
SMILESO=C=C/C=C\C1C=CC=CC1
InChIInChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-6,8,10H,7H2/b8-4-
InChIKeyNZRPAMWILFAPCZ-YWEYNIOJSA-N
MW146.19 g/mol
LogP2.06
Rot. Bonds2

About (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one

(3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one (PubChem CID 134873879) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one.

Molecular Properties

Compound Name(3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one
PubChem CID134873879
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one
SMILESO=C=C/C=C\C1C=CC=CC1
InChIInChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-6,8,10H,7H2/b8-4-
InChIKeyNZRPAMWILFAPCZ-YWEYNIOJSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[(3Z)-penta-1,3-dienyl]cyclohexa-1,3-diene
CID 143896906
5-(2-nitroethenyl)cyclohexa-1,3-diene
CID 70035465
1-(3-cyclohexa-2,4-dien-1-ylprop-2-enoyl)piperidin-4-one
CID 67783386
2-(2-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohexa-1,3-diene
CID 123434042
acetic acid;3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 175178095
methyl (Z)-3-[(1S)-cyclohexa-2,4-dien-1-yl]-2-methylprop-2-enoate
CID 102465359
1-(6-amino-1,3-benzodioxol-5-yl)-3-cyclohexa-2,4-dien-1-ylprop-2-en-1-one
CID 150369465
5-[(1E,3E)-2,3-bis(ethenyl)hexa-1,3,5-trienyl]cyclohexa-1,3-diene
CID 140938366
acetic acid;cyclohexa-2,4-dien-1-ol
CID 139242866
(1S)-cyclohexa-2,4-diene-1-carbonitrile
CID 12679824
5-bromocyclohexa-1,3-diene
CID 527557
cyclohexa-2,4-diene-1-thiol
CID 18734712

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one?
The IUPAC name of (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one (CID 134873879) is (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one.
What is the SMILES notation for (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one?
The canonical SMILES for (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one is O=C=C/C=C\C1C=CC=CC1.
What is the InChIKey of (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one?
The InChIKey is NZRPAMWILFAPCZ-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-6,8,10H,7H2/b8-4-.
What are the key properties of (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one?
(3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one has a molecular weight of 146.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-cyclohexa-2,4-dien-1-ylbuta-1,3-dien-1-one is sourced from PubChem (CID 134873879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).