[(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene

C24H36 — CID 166095952

IUPAC[(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene
SMILESC=C/C=C(\C=C)[C@@](C)(CCCC)[C@](C)(CCCC)c1ccccc1
InChIInChI=1S/C24H36/c1-7-11-19-23(5,21(10-4)16-9-3)24(6,20-12-8-2)22-17-14-13-15-18-22/h9-10,13-18H,3-4,7-8,11-12,19-20H2,1-2,5-6H3/b21-16+/t23-,24-/m1/s1
InChIKeyBHVRSVZVWJXOHE-YSXQIUAXSA-N
MW324.55 g/mol
LogP7.63
Rot. Bonds11

About [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene

[(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene (PubChem CID 166095952) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene.

Molecular Properties

Compound Name[(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene
PubChem CID166095952
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Name[(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene
SMILESC=C/C=C(\C=C)[C@@](C)(CCCC)[C@](C)(CCCC)c1ccccc1
InChIInChI=1S/C24H36/c1-7-11-19-23(5,21(10-4)16-9-3)24(6,20-12-8-2)22-17-14-13-15-18-22/h9-10,13-18H,3-4,7-8,11-12,19-20H2,1-2,5-6H3/b21-16+/t23-,24-/m1/s1
InChIKeyBHVRSVZVWJXOHE-YSXQIUAXSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene?
The IUPAC name of [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene (CID 166095952) is [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene.
What is the SMILES notation for [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene?
The canonical SMILES for [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene is C=C/C=C(\C=C)[C@@](C)(CCCC)[C@](C)(CCCC)c1ccccc1.
What is the InChIKey of [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene?
The InChIKey is BHVRSVZVWJXOHE-YSXQIUAXSA-N. The full InChI is InChI=1S/C24H36/c1-7-11-19-23(5,21(10-4)16-9-3)24(6,20-12-8-2)22-17-14-13-15-18-22/h9-10,13-18H,3-4,7-8,11-12,19-20H2,1-2,5-6H3/b21-16+/t23-,24-/m1/s1.
What are the key properties of [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene?
[(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene has a molecular weight of 324.55 g/mol, XLogP of 7.63, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6R,7E)-6-butyl-7-ethenyl-5,6-dimethyldeca-7,9-dien-5-yl]benzene is sourced from PubChem (CID 166095952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).