methyl 2-cyclobutyl-6-methylbenzoate

C13H16O2 — CID 144575018

IUPACmethyl 2-cyclobutyl-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1C1CCC1
InChIInChI=1S/C13H16O2/c1-9-5-3-8-11(10-6-4-7-10)12(9)13(14)15-2/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyVHQCNAZKYDHUDT-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.05
Rot. Bonds2

About methyl 2-cyclobutyl-6-methylbenzoate

methyl 2-cyclobutyl-6-methylbenzoate (PubChem CID 144575018) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 2-cyclobutyl-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-cyclobutyl-6-methylbenzoate
PubChem CID144575018
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl 2-cyclobutyl-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1C1CCC1
InChIInChI=1S/C13H16O2/c1-9-5-3-8-11(10-6-4-7-10)12(9)13(14)15-2/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyVHQCNAZKYDHUDT-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-6-methylbenzoyl chloride
CID 144574773
methyl 4-cyclohexyl-3-methylbenzoate
CID 126540400
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
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2-methyl-6-piperidin-4-ylbenzamide
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2-cyclobutyl-7-methylcyclohepta-2,4,6-trien-1-one
CID 157060822
cyclobutyl-(2,6-dimethylphenyl)methanone
CID 24724132
methyl 2-methyl-6-[[(1R,3S)-3-prop-2-enoxycyclohexyl]oxymethyl]benzoate
CID 58864607
cyclopentyl 2,6-dimethylbenzenecarboperoxoate
CID 173265603
methyl 2-methyl-6-methylsulfonylbenzoate
CID 174534028
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677
methyl 2-cyclobutyl-3-iodobenzoate
CID 175864444
ethyl 2-cyclobutylbenzoate
CID 106942755

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclobutyl-6-methylbenzoate?
The IUPAC name of methyl 2-cyclobutyl-6-methylbenzoate (CID 144575018) is methyl 2-cyclobutyl-6-methylbenzoate.
What is the SMILES notation for methyl 2-cyclobutyl-6-methylbenzoate?
The canonical SMILES for methyl 2-cyclobutyl-6-methylbenzoate is COC(=O)c1c(C)cccc1C1CCC1.
What is the InChIKey of methyl 2-cyclobutyl-6-methylbenzoate?
The InChIKey is VHQCNAZKYDHUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-5-3-8-11(10-6-4-7-10)12(9)13(14)15-2/h3,5,8,10H,4,6-7H2,1-2H3.
What are the key properties of methyl 2-cyclobutyl-6-methylbenzoate?
methyl 2-cyclobutyl-6-methylbenzoate has a molecular weight of 204.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclobutyl-6-methylbenzoate is sourced from PubChem (CID 144575018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).