methyl 4-(2-methoxycyclohexyl)butanoate

C12H22O3 — CID 12546372

IUPACmethyl 4-(2-methoxycyclohexyl)butanoate
SMILESCOC(=O)CCCC1CCCCC1OC
InChIInChI=1S/C12H22O3/c1-14-11-8-4-3-6-10(11)7-5-9-12(13)15-2/h10-11H,3-9H2,1-2H3
InChIKeyUIMIFLVEFCWKNI-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds5

About methyl 4-(2-methoxycyclohexyl)butanoate

methyl 4-(2-methoxycyclohexyl)butanoate (PubChem CID 12546372) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl 4-(2-methoxycyclohexyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-methoxycyclohexyl)butanoate
PubChem CID12546372
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl 4-(2-methoxycyclohexyl)butanoate
SMILESCOC(=O)CCCC1CCCCC1OC
InChIInChI=1S/C12H22O3/c1-14-11-8-4-3-6-10(11)7-5-9-12(13)15-2/h10-11H,3-9H2,1-2H3
InChIKeyUIMIFLVEFCWKNI-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2-methoxycyclohexyl)butanoate 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

5-[2-(5-methoxy-5-oxopentyl)cyclohexyl]pentanoic acid
CID 176900201
methyl 9-[(1R,2R)-2-butylcyclopentyl]nonanoate
CID 14389759
methyl 9-[(1S,2S)-2-butylcyclopentyl]nonanoate
CID 101259180
cyclohexanol;dimethyl hexanedioate
CID 19805859
2-[(1R,2S)-2-methoxycyclohexyl]acetohydrazide
CID 97035443
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062
cis-(1S,2R)-1-methoxy-2-(methoxymethyl)cyclohexane
CID 164821993
methyl 3-(2-aminocyclopentyl)propanoate
CID 105434759
N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine
CID 97035459
(2-methoxycyclohexyl) hexanoate
CID 78887524
methyl 4-(3-cyclopentylpropylamino)butanoate
CID 106004262
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxycyclohexyl)butanoate?
The IUPAC name of methyl 4-(2-methoxycyclohexyl)butanoate (CID 12546372) is methyl 4-(2-methoxycyclohexyl)butanoate.
What is the SMILES notation for methyl 4-(2-methoxycyclohexyl)butanoate?
The canonical SMILES for methyl 4-(2-methoxycyclohexyl)butanoate is COC(=O)CCCC1CCCCC1OC.
What is the InChIKey of methyl 4-(2-methoxycyclohexyl)butanoate?
The InChIKey is UIMIFLVEFCWKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-14-11-8-4-3-6-10(11)7-5-9-12(13)15-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 4-(2-methoxycyclohexyl)butanoate?
methyl 4-(2-methoxycyclohexyl)butanoate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxycyclohexyl)butanoate is sourced from PubChem (CID 12546372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).