2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate

C11H18O2 — CID 16537

IUPAC2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate
SMILESCC1=CCC(C(C)(C)OC=O)CC1
InChIInChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3
InChIKeyIPYLQIQMGUZFCK-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds3

About 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate (PubChem CID 16537) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate
PubChem CID16537
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate
SMILESCC1=CCC(C(C)(C)OC=O)CC1
InChIInChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3
InChIKeyIPYLQIQMGUZFCK-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate (CID 16537) is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate is CC1=CCC(C(C)(C)OC=O)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate?
The InChIKey is IPYLQIQMGUZFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate?
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate is sourced from PubChem (CID 16537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).