1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene

C19H25Cl — CID 146207470

IUPAC1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene
SMILESCC/C(=C\C=C/CCC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H25Cl/c1-2-17(18-13-8-14-19(20)15-18)12-5-3-4-9-16-10-6-7-11-16/h3,5,8,12-16H,2,4,6-7,9-11H2,1H3/b5-3-,17-12+
InChIKeyYGYHLUAOHJXQEJ-KHDLQPLDSA-N
MW288.86 g/mol
LogP6.66
Rot. Bonds6

About 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene

1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene (PubChem CID 146207470) has the molecular formula C19H25Cl and a molecular weight of 288.86 g/mol. Its IUPAC name is 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene
PubChem CID146207470
Molecular FormulaC19H25Cl
Molecular Weight288.86 g/mol
Exact Mass288.16
IUPAC Name1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene
SMILESCC/C(=C\C=C/CCC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C19H25Cl/c1-2-17(18-13-8-14-19(20)15-18)12-5-3-4-9-16-10-6-7-11-16/h3,5,8,12-16H,2,4,6-7,9-11H2,1H3/b5-3-,17-12+
InChIKeyYGYHLUAOHJXQEJ-KHDLQPLDSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.86
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene?
The IUPAC name of 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene (CID 146207470) is 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene.
What is the SMILES notation for 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene?
The canonical SMILES for 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene is CC/C(=C\C=C/CCC1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene?
The InChIKey is YGYHLUAOHJXQEJ-KHDLQPLDSA-N. The full InChI is InChI=1S/C19H25Cl/c1-2-17(18-13-8-14-19(20)15-18)12-5-3-4-9-16-10-6-7-11-16/h3,5,8,12-16H,2,4,6-7,9-11H2,1H3/b5-3-,17-12+.
What are the key properties of 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene?
1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene has a molecular weight of 288.86 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(3E,5Z)-8-cyclopentylocta-3,5-dien-3-yl]benzene is sourced from PubChem (CID 146207470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).