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

C14H22O2 — CID 134301831

IUPAC2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate
SMILESCC1=CCC(C(C)(C)OC(=O)C2CC2)CC1
InChIInChI=1S/C14H22O2/c1-10-4-8-12(9-5-10)14(2,3)16-13(15)11-6-7-11/h4,11-12H,5-9H2,1-3H3
InChIKeyCFXZUELYKZASQV-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.46
Rot. Bonds3

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

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate (PubChem CID 134301831) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate
PubChem CID134301831
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate
SMILESCC1=CCC(C(C)(C)OC(=O)C2CC2)CC1
InChIInChI=1S/C14H22O2/c1-10-4-8-12(9-5-10)14(2,3)16-13(15)11-6-7-11/h4,11-12H,5-9H2,1-3H3
InChIKeyCFXZUELYKZASQV-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate (CID 134301831) is 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate is CC1=CCC(C(C)(C)OC(=O)C2CC2)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate?
The InChIKey is CFXZUELYKZASQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-4-8-12(9-5-10)14(2,3)16-13(15)11-6-7-11/h4,11-12H,5-9H2,1-3H3.
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate?
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclopropanecarboxylate has a molecular weight of 222.33 g/mol, XLogP of 3.46, 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 cyclopropanecarboxylate is sourced from PubChem (CID 134301831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).