(6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate

C12H18O2 — CID 20519530

IUPAC(6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate
SMILESCC1CCC=CC1COC(=O)C1CC1
InChIInChI=1S/C12H18O2/c1-9-4-2-3-5-11(9)8-14-12(13)10-6-7-10/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyMBHMZZHUISKYOA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.54
Rot. Bonds3

About (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate

(6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate (PubChem CID 20519530) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name(6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate
PubChem CID20519530
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate
SMILESCC1CCC=CC1COC(=O)C1CC1
InChIInChI=1S/C12H18O2/c1-9-4-2-3-5-11(9)8-14-12(13)10-6-7-10/h3,5,9-11H,2,4,6-8H2,1H3
InChIKeyMBHMZZHUISKYOA-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.54
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 (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate?
The IUPAC name of (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate (CID 20519530) is (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate.
What is the SMILES notation for (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate?
The canonical SMILES for (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate is CC1CCC=CC1COC(=O)C1CC1.
What is the InChIKey of (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate?
The InChIKey is MBHMZZHUISKYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-4-2-3-5-11(9)8-14-12(13)10-6-7-10/h3,5,9-11H,2,4,6-8H2,1H3.
What are the key properties of (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate?
(6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate has a molecular weight of 194.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylcyclohex-2-en-1-yl)methyl cyclopropanecarboxylate is sourced from PubChem (CID 20519530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).