1-butyl-2-methylcyclopentene

C10H18 — CID 6427723

IUPAC1-butyl-2-methylcyclopentene
SMILESCCCCC1=C(C)CCC1
InChIInChI=1S/C10H18/c1-3-4-7-10-8-5-6-9(10)2/h3-8H2,1-2H3
InChIKeyYJCCJFPRGKWFQD-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.68
Rot. Bonds3

About 1-butyl-2-methylcyclopentene

1-butyl-2-methylcyclopentene (PubChem CID 6427723) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-butyl-2-methylcyclopentene.

Molecular Properties

Compound Name1-butyl-2-methylcyclopentene
PubChem CID6427723
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-butyl-2-methylcyclopentene
SMILESCCCCC1=C(C)CCC1
InChIInChI=1S/C10H18/c1-3-4-7-10-8-5-6-9(10)2/h3-8H2,1-2H3
InChIKeyYJCCJFPRGKWFQD-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.68
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-butyl-2-methylcyclopentene?
The IUPAC name of 1-butyl-2-methylcyclopentene (CID 6427723) is 1-butyl-2-methylcyclopentene.
What is the SMILES notation for 1-butyl-2-methylcyclopentene?
The canonical SMILES for 1-butyl-2-methylcyclopentene is CCCCC1=C(C)CCC1.
What is the InChIKey of 1-butyl-2-methylcyclopentene?
The InChIKey is YJCCJFPRGKWFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-4-7-10-8-5-6-9(10)2/h3-8H2,1-2H3.
What are the key properties of 1-butyl-2-methylcyclopentene?
1-butyl-2-methylcyclopentene has a molecular weight of 138.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylcyclopentene is sourced from PubChem (CID 6427723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).