2-(4-methylcyclohexyl)oxybutanoic acid

C11H20O3 — CID 43808830

IUPAC2-(4-methylcyclohexyl)oxybutanoic acid
SMILESCCC(OC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-10(11(12)13)14-9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMJRXFQGITRMIFY-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.44
Rot. Bonds4

About 2-(4-methylcyclohexyl)oxybutanoic acid

2-(4-methylcyclohexyl)oxybutanoic acid (PubChem CID 43808830) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxybutanoic acid.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxybutanoic acid
PubChem CID43808830
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(4-methylcyclohexyl)oxybutanoic acid
SMILESCCC(OC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C11H20O3/c1-3-10(11(12)13)14-9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMJRXFQGITRMIFY-UHFFFAOYSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyclopropyloxybutanoate
CID 175037887
(2S)-2-cyclopropyloxy-3-methylpentanoic acid
CID 170443442
2-(3-aminocyclohexyl)oxybutanoic acid
CID 106940597
ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
CID 79356559
ethyl 2-(4,4-dimethylcyclohexyl)oxybutanoate
CID 114340349
(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid
CID 167015607
2-[2-(aminomethyl)cyclohexyl]oxybutanoic acid
CID 106940249
2-[2-(methylamino)cyclohexyl]oxybutanoic acid
CID 106941030
(4-methylcyclohexyl) (2S,3S)-2-amino-3-methylpentanoate
CID 61278231
(4-methylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61278644
3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228312
2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid
CID 119346552

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxybutanoic acid?
The IUPAC name of 2-(4-methylcyclohexyl)oxybutanoic acid (CID 43808830) is 2-(4-methylcyclohexyl)oxybutanoic acid.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxybutanoic acid?
The canonical SMILES for 2-(4-methylcyclohexyl)oxybutanoic acid is CCC(OC1CCC(C)CC1)C(=O)O.
What is the InChIKey of 2-(4-methylcyclohexyl)oxybutanoic acid?
The InChIKey is MJRXFQGITRMIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-10(11(12)13)14-9-6-4-8(2)5-7-9/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-methylcyclohexyl)oxybutanoic acid?
2-(4-methylcyclohexyl)oxybutanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxybutanoic acid is sourced from PubChem (CID 43808830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).