methyl 2-(4-methylcyclohexyl)propanoate

C11H20O2 — CID 22035514

IUPACmethyl 2-(4-methylcyclohexyl)propanoate
SMILESCOC(=O)C(C)C1CCC(C)CC1
InChIInChI=1S/C11H20O2/c1-8-4-6-10(7-5-8)9(2)11(12)13-3/h8-10H,4-7H2,1-3H3
InChIKeyJXKJBYRCICQTJU-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.62
Rot. Bonds2

About methyl 2-(4-methylcyclohexyl)propanoate

methyl 2-(4-methylcyclohexyl)propanoate (PubChem CID 22035514) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl 2-(4-methylcyclohexyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-methylcyclohexyl)propanoate
PubChem CID22035514
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl 2-(4-methylcyclohexyl)propanoate
SMILESCOC(=O)C(C)C1CCC(C)CC1
InChIInChI=1S/C11H20O2/c1-8-4-6-10(7-5-8)9(2)11(12)13-3/h8-10H,4-7H2,1-3H3
InChIKeyJXKJBYRCICQTJU-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
dimethyl 2-(4-methylcyclohexyl)propanedioate
CID 103972492
2-(4-methylcyclohexyl)propanamide
CID 175989942
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
methyl 2-(4,4-difluorocyclohexyl)propanoate
CID 76804780
methyl 2-(4-oxocyclohexyl)propanoate
CID 76688325
methyl 2-(thiolan-3-yl)propanoate
CID 176838406
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
methyl 2-bromo-3-[(4-methylcyclohexyl)methylamino]propanoate
CID 103250438
methyl 2-[(4-methylcyclohexyl)carbamoylamino]propanoate
CID 4571639

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylcyclohexyl)propanoate?
The IUPAC name of methyl 2-(4-methylcyclohexyl)propanoate (CID 22035514) is methyl 2-(4-methylcyclohexyl)propanoate.
What is the SMILES notation for methyl 2-(4-methylcyclohexyl)propanoate?
The canonical SMILES for methyl 2-(4-methylcyclohexyl)propanoate is COC(=O)C(C)C1CCC(C)CC1.
What is the InChIKey of methyl 2-(4-methylcyclohexyl)propanoate?
The InChIKey is JXKJBYRCICQTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-4-6-10(7-5-8)9(2)11(12)13-3/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 2-(4-methylcyclohexyl)propanoate?
methyl 2-(4-methylcyclohexyl)propanoate has a molecular weight of 184.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylcyclohexyl)propanoate is sourced from PubChem (CID 22035514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).