ethyl 2-methylcyclohexene-1-carboxylate

C10H16O2 — CID 14890156

IUPACethyl 2-methylcyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(C)CCCC1
InChIInChI=1S/C10H16O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h3-7H2,1-2H3
InChIKeyOUQSUMNWXIYJMJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds2

About ethyl 2-methylcyclohexene-1-carboxylate

ethyl 2-methylcyclohexene-1-carboxylate (PubChem CID 14890156) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 2-methylcyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylcyclohexene-1-carboxylate
PubChem CID14890156
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 2-methylcyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(C)CCCC1
InChIInChI=1S/C10H16O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h3-7H2,1-2H3
InChIKeyOUQSUMNWXIYJMJ-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylcyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-methylcyclohexene-1-carboxylate (CID 14890156) is ethyl 2-methylcyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-methylcyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-methylcyclohexene-1-carboxylate is CCOC(=O)C1=C(C)CCCC1.
What is the InChIKey of ethyl 2-methylcyclohexene-1-carboxylate?
The InChIKey is OUQSUMNWXIYJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-methylcyclohexene-1-carboxylate?
ethyl 2-methylcyclohexene-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylcyclohexene-1-carboxylate is sourced from PubChem (CID 14890156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).