1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene

C23H34 — CID 177474548

IUPAC1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene
SMILESCCCCCCC(=C=C(C)CC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C23H34/c1-4-5-6-7-12-23(22-15-13-19(2)14-16-22)18-20(3)17-21-10-8-9-11-21/h13-16,21H,4-12,17H2,1-3H3
InChIKeyDOVHNTYJGMGRTQ-UHFFFAOYSA-N
MW310.52 g/mol
LogP7.47
Rot. Bonds8

About 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene

1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene (PubChem CID 177474548) has the molecular formula C23H34 and a molecular weight of 310.52 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene
PubChem CID177474548
Molecular FormulaC23H34
Molecular Weight310.52 g/mol
Exact Mass310.27
IUPAC Name1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene
SMILESCCCCCCC(=C=C(C)CC1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C23H34/c1-4-5-6-7-12-23(22-15-13-19(2)14-16-22)18-20(3)17-21-10-8-9-11-21/h13-16,21H,4-12,17H2,1-3H3
InChIKeyDOVHNTYJGMGRTQ-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene?
The IUPAC name of 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene (CID 177474548) is 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene.
What is the SMILES notation for 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene?
The canonical SMILES for 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene is CCCCCCC(=C=C(C)CC1CCCC1)c1ccc(C)cc1.
What is the InChIKey of 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene?
The InChIKey is DOVHNTYJGMGRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34/c1-4-5-6-7-12-23(22-15-13-19(2)14-16-22)18-20(3)17-21-10-8-9-11-21/h13-16,21H,4-12,17H2,1-3H3.
What are the key properties of 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene?
1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene has a molecular weight of 310.52 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2-methyldeca-2,3-dien-4-yl)-4-methylbenzene is sourced from PubChem (CID 177474548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).