1,2-bis(2-methylpropyl)cyclopentene

C13H24 — CID 59470917

IUPAC1,2-bis(2-methylpropyl)cyclopentene
SMILESCC(C)CC1=C(CC(C)C)CCC1
InChIInChI=1S/C13H24/c1-10(2)8-12-6-5-7-13(12)9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyIJVDUFNPFKWWFO-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds4

About 1,2-bis(2-methylpropyl)cyclopentene

1,2-bis(2-methylpropyl)cyclopentene (PubChem CID 59470917) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,2-bis(2-methylpropyl)cyclopentene.

Molecular Properties

Compound Name1,2-bis(2-methylpropyl)cyclopentene
PubChem CID59470917
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,2-bis(2-methylpropyl)cyclopentene
SMILESCC(C)CC1=C(CC(C)C)CCC1
InChIInChI=1S/C13H24/c1-10(2)8-12-6-5-7-13(12)9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyIJVDUFNPFKWWFO-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylpropyl)cyclopentene?
The IUPAC name of 1,2-bis(2-methylpropyl)cyclopentene (CID 59470917) is 1,2-bis(2-methylpropyl)cyclopentene.
What is the SMILES notation for 1,2-bis(2-methylpropyl)cyclopentene?
The canonical SMILES for 1,2-bis(2-methylpropyl)cyclopentene is CC(C)CC1=C(CC(C)C)CCC1.
What is the InChIKey of 1,2-bis(2-methylpropyl)cyclopentene?
The InChIKey is IJVDUFNPFKWWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10(2)8-12-6-5-7-13(12)9-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,2-bis(2-methylpropyl)cyclopentene?
1,2-bis(2-methylpropyl)cyclopentene has a molecular weight of 180.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpropyl)cyclopentene is sourced from PubChem (CID 59470917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).