1-(1-methylcyclopentyl)ethenyl benzoate

C15H18O2 — CID 140564913

IUPAC1-(1-methylcyclopentyl)ethenyl benzoate
SMILESC=C(OC(=O)c1ccccc1)C1(C)CCCC1
InChIInChI=1S/C15H18O2/c1-12(15(2)10-6-7-11-15)17-14(16)13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10-11H2,2H3
InChIKeyBCSLLLCZGDJZFW-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.94
Rot. Bonds3

About 1-(1-methylcyclopentyl)ethenyl benzoate

1-(1-methylcyclopentyl)ethenyl benzoate (PubChem CID 140564913) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)ethenyl benzoate.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)ethenyl benzoate
PubChem CID140564913
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(1-methylcyclopentyl)ethenyl benzoate
SMILESC=C(OC(=O)c1ccccc1)C1(C)CCCC1
InChIInChI=1S/C15H18O2/c1-12(15(2)10-6-7-11-15)17-14(16)13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10-11H2,2H3
InChIKeyBCSLLLCZGDJZFW-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)ethenyl benzoate?
The IUPAC name of 1-(1-methylcyclopentyl)ethenyl benzoate (CID 140564913) is 1-(1-methylcyclopentyl)ethenyl benzoate.
What is the SMILES notation for 1-(1-methylcyclopentyl)ethenyl benzoate?
The canonical SMILES for 1-(1-methylcyclopentyl)ethenyl benzoate is C=C(OC(=O)c1ccccc1)C1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)ethenyl benzoate?
The InChIKey is BCSLLLCZGDJZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-12(15(2)10-6-7-11-15)17-14(16)13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10-11H2,2H3.
What are the key properties of 1-(1-methylcyclopentyl)ethenyl benzoate?
1-(1-methylcyclopentyl)ethenyl benzoate has a molecular weight of 230.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)ethenyl benzoate is sourced from PubChem (CID 140564913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).