2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid

C12H22O3 — CID 82239692

IUPAC2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)OC1CCCCC1C(=O)O
InChIInChI=1S/C12H22O3/c1-4-12(2,3)15-10-8-6-5-7-9(10)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyNAHNLJODJJXFEC-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.84
Rot. Bonds4

About 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid

2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid (PubChem CID 82239692) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid
PubChem CID82239692
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid
SMILESCCC(C)(C)OC1CCCCC1C(=O)O
InChIInChI=1S/C12H22O3/c1-4-12(2,3)15-10-8-6-5-7-9(10)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyNAHNLJODJJXFEC-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethoxy)cyclohexane-1-carboxylic acid
CID 137347109
2-[2-(2,2-dimethylbutanoyloxy)ethoxymethoxy]cyclohexane-1-carboxylic acid
CID 20770057
2-(2-methylbutan-2-yloxy)cyclopentan-1-amine
CID 43127801
potassium;2-ethoxycyclopentane-1-carboxylic acid;methanethiolate
CID 162751269
2-(2-methylbutan-2-yloxy)cyclohexane-1-carbonitrile
CID 43292750
2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43529282
2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262655
2-[2-(2,2-dimethylbutanoyloxy)acetyl]cyclohexane-1-carboxylic acid
CID 134463632
cis-(1S,2R)-2-[methyl(2-methylbutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114092372
2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid
CID 114989139
2-(2-methylpropoxy)cyclopentane-1-carboxylic acid
CID 18953099
2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
CID 114991724

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid (CID 82239692) is 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid is CCC(C)(C)OC1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid?
The InChIKey is NAHNLJODJJXFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-12(2,3)15-10-8-6-5-7-9(10)11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid?
2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid has a molecular weight of 214.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82239692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).