1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane

C24H44 — CID 123889904

IUPAC1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane
SMILESCCCCCCC(C)=CCCCC(C)(C1CCC1)C1CCC(C)C1
InChIInChI=1S/C24H44/c1-5-6-7-8-12-20(2)13-9-10-18-24(4,22-14-11-15-22)23-17-16-21(3)19-23/h13,21-23H,5-12,14-19H2,1-4H3
InChIKeyKCMIJVUOKVBWEK-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.32
Rot. Bonds11

About 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane

1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane (PubChem CID 123889904) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane.

Molecular Properties

Compound Name1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane
PubChem CID123889904
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane
SMILESCCCCCCC(C)=CCCCC(C)(C1CCC1)C1CCC(C)C1
InChIInChI=1S/C24H44/c1-5-6-7-8-12-20(2)13-9-10-18-24(4,22-14-11-15-22)23-17-16-21(3)19-23/h13,21-23H,5-12,14-19H2,1-4H3
InChIKeyKCMIJVUOKVBWEK-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane?
The IUPAC name of 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane (CID 123889904) is 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane.
What is the SMILES notation for 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane?
The canonical SMILES for 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane is CCCCCCC(C)=CCCCC(C)(C1CCC1)C1CCC(C)C1.
What is the InChIKey of 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane?
The InChIKey is KCMIJVUOKVBWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-5-6-7-8-12-20(2)13-9-10-18-24(4,22-14-11-15-22)23-17-16-21(3)19-23/h13,21-23H,5-12,14-19H2,1-4H3.
What are the key properties of 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane?
1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane has a molecular weight of 332.62 g/mol, XLogP of 8.32, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-7-methyltridec-6-en-2-yl)-3-methylcyclopentane is sourced from PubChem (CID 123889904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).