methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate

C14H26O3 — CID 66831106

IUPACmethyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
SMILESCOCC(C(=O)OC)(C(C)C)C1CCCCC1
InChIInChI=1S/C14H26O3/c1-11(2)14(10-16-3,13(15)17-4)12-8-6-5-7-9-12/h11-12H,5-10H2,1-4H3
InChIKeyQMLXTQOSGCYGSB-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.03
Rot. Bonds5

About methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate

methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate (PubChem CID 66831106) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
PubChem CID66831106
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Namemethyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate
SMILESCOCC(C(=O)OC)(C(C)C)C1CCCCC1
InChIInChI=1S/C14H26O3/c1-11(2)14(10-16-3,13(15)17-4)12-8-6-5-7-9-12/h11-12H,5-10H2,1-4H3
InChIKeyQMLXTQOSGCYGSB-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoic acid
CID 23202697
butyl 2-cyclopentyl-2-(methoxymethyl)-3-methylbutanoate
CID 23297171
silyl 2,3-dicyclohexyl-2-ethylbutanoate
CID 173470224
(2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane
CID 66896613
dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 113360294
methyl 2-amino-2-cyclohexyl-3,3-difluoropropanoate
CID 105477233
2-cyclopentyl-2-(methoxymethyl)-3-methylbutan-1-amine
CID 139927528
2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
CID 113383105
2-cyclopentyl-N-ethyl-2-(methoxymethyl)-3-methylbutan-1-amine
CID 139968893
dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
CID 141412517
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate
CID 105455426
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate?
The IUPAC name of methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate (CID 66831106) is methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate.
What is the SMILES notation for methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate?
The canonical SMILES for methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate is COCC(C(=O)OC)(C(C)C)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate?
The InChIKey is QMLXTQOSGCYGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11(2)14(10-16-3,13(15)17-4)12-8-6-5-7-9-12/h11-12H,5-10H2,1-4H3.
What are the key properties of methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate?
methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate has a molecular weight of 242.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-(methoxymethyl)-3-methylbutanoate is sourced from PubChem (CID 66831106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).