2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate

C11H18O2 — CID 6429181

IUPAC2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate
SMILESCC1=CCC(CCOC=O)C1(C)C
InChIInChI=1S/C11H18O2/c1-9-4-5-10(11(9,2)3)6-7-13-8-12/h4,8,10H,5-7H2,1-3H3
InChIKeyARNTYULBVFUPJD-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds4

About 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate

2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate (PubChem CID 6429181) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate.

Molecular Properties

Compound Name2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate
PubChem CID6429181
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate
SMILESCC1=CCC(CCOC=O)C1(C)C
InChIInChI=1S/C11H18O2/c1-9-4-5-10(11(9,2)3)6-7-13-8-12/h4,8,10H,5-7H2,1-3H3
InChIKeyARNTYULBVFUPJD-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate?
The IUPAC name of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate (CID 6429181) is 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate.
What is the SMILES notation for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate?
The canonical SMILES for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate is CC1=CCC(CCOC=O)C1(C)C.
What is the InChIKey of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate?
The InChIKey is ARNTYULBVFUPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-4-5-10(11(9,2)3)6-7-13-8-12/h4,8,10H,5-7H2,1-3H3.
What are the key properties of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate?
2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl formate is sourced from PubChem (CID 6429181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).