1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid

C12H20O3 — CID 79425629

IUPAC1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid
SMILESCOC1CCCC(C2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H20O3/c1-15-10-5-2-4-9(8-10)12(11(13)14)6-3-7-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyWQGWZERPOMJJDH-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid

1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid (PubChem CID 79425629) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid
PubChem CID79425629
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid
SMILESCOC1CCCC(C2(C(=O)O)CCC2)C1
InChIInChI=1S/C12H20O3/c1-15-10-5-2-4-9(8-10)12(11(13)14)6-3-7-12/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyWQGWZERPOMJJDH-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
CID 79425993
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
(3-methoxycyclohexyl) 1-aminocyclobutane-1-carboxylate
CID 81161404
1-(3-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429223
3-methoxycyclohexane-1,1-dicarboxylic acid
CID 18968479
4-tert-butyl-1-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 79425363
1-(3-ethylcyclohexyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425098
ethyl 2-[(1R,3R)-3-methoxycyclohexyl]acetate
CID 98041349
2-(3-methoxycyclohexyl)propanoic acid
CID 79418099
3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321554
(1R,2R,4S)-4-methoxy-2-methylcyclohexane-1-carboxylic acid
CID 125470813
cis-[(1R,3R)-3-methoxycyclohexanecarbonyl] (1S,3R)-3-methoxycyclohexane-1-carboxylate
CID 125113199

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid (CID 79425629) is 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid is COC1CCCC(C2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid?
The InChIKey is WQGWZERPOMJJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-15-10-5-2-4-9(8-10)12(11(13)14)6-3-7-12/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid?
1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 79425629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).