(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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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).