(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one

C19H26O — CID 70617483

IUPAC(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one
SMILESC/C(=C/C1=CCCCC1)C(=O)/C(C)=C\C1=CCCCC1
InChIInChI=1S/C19H26O/c1-15(13-17-9-5-3-6-10-17)19(20)16(2)14-18-11-7-4-8-12-18/h9,11,13-14H,3-8,10,12H2,1-2H3/b15-13-,16-14-
InChIKeyFFJDJUIZVWPRDH-VMNXYWKNSA-N
MW270.42 g/mol
LogP5.45
Rot. Bonds4

About (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one

(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one (PubChem CID 70617483) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one
PubChem CID70617483
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one
SMILESC/C(=C/C1=CCCCC1)C(=O)/C(C)=C\C1=CCCCC1
InChIInChI=1S/C19H26O/c1-15(13-17-9-5-3-6-10-17)19(20)16(2)14-18-11-7-4-8-12-18/h9,11,13-14H,3-8,10,12H2,1-2H3/b15-13-,16-14-
InChIKeyFFJDJUIZVWPRDH-VMNXYWKNSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one with MolForge

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Launch Full Analysis

Related Compounds

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1-(cyclohexen-1-yl)-2-methylpent-1-en-4-yn-3-ol
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(1E)-cyclononene-1-carbaldehyde
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methyl 3-(cyclohexen-1-yl)prop-2-enoate
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3-[(1E)-cycloocten-1-yl]prop-2-enoic acid
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2-(cyclohexen-1-yl)-N,N-dimethylethenamine
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1-[(Z)-prop-1-enyl]cycloheptene
CID 135080303
1-ethenylcyclooctene
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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one?
The IUPAC name of (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one (CID 70617483) is (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one.
What is the SMILES notation for (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one?
The canonical SMILES for (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one is C/C(=C/C1=CCCCC1)C(=O)/C(C)=C\C1=CCCCC1.
What is the InChIKey of (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one?
The InChIKey is FFJDJUIZVWPRDH-VMNXYWKNSA-N. The full InChI is InChI=1S/C19H26O/c1-15(13-17-9-5-3-6-10-17)19(20)16(2)14-18-11-7-4-8-12-18/h9,11,13-14H,3-8,10,12H2,1-2H3/b15-13-,16-14-.
What are the key properties of (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one?
(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one has a molecular weight of 270.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one is sourced from PubChem (CID 70617483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).