2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid

C15H26O4 — CID 141262826

IUPAC2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C(C)(C)OC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H26O4/c1-14(2,3)15(4,5)19-13(18)11-9-7-6-8-10(11)12(16)17/h10-11H,6-9H2,1-5H3,(H,16,17)
InChIKeyGNPITNKZVNYIGI-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.25
Rot. Bonds3

About 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid

2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 141262826) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID141262826
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)C(C)(C)OC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H26O4/c1-14(2,3)15(4,5)19-13(18)11-9-7-6-8-10(11)12(16)17/h10-11H,6-9H2,1-5H3,(H,16,17)
InChIKeyGNPITNKZVNYIGI-UHFFFAOYSA-N
XLogP3.25
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262655
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
2-sulfanyloxycarbonylcyclohexane-1-carboxylic acid
CID 150374950
2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid
CID 126683048
2-(3-methylnonan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 69473641
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
cis-(1S,2R)-2-[methyl(2-methylbutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114092372
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
2-(2-methyl-4-propylnonan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid
CID 141262883
2-O-tert-butyl 1-O-cyclohexyl cyclohexane-1,2-dicarboxylate
CID 54540024
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (CID 141262826) is 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is CC(C)(C)C(C)(C)OC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is GNPITNKZVNYIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-14(2,3)15(4,5)19-13(18)11-9-7-6-8-10(11)12(16)17/h10-11H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 141262826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).