2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid

C15H24O4 — CID 67386865

IUPAC2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
SMILESCC1(OC(=O)C2CCCCC2C(=O)O)CCCCC1
InChIInChI=1S/C15H24O4/c1-15(9-5-2-6-10-15)19-14(18)12-8-4-3-7-11(12)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyZCRYLEQWRZAAPS-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.14
Rot. Bonds3

About 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid

2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 67386865) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
PubChem CID67386865
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid
SMILESCC1(OC(=O)C2CCCCC2C(=O)O)CCCCC1
InChIInChI=1S/C15H24O4/c1-15(9-5-2-6-10-15)19-14(18)12-8-4-3-7-11(12)13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKeyZCRYLEQWRZAAPS-UHFFFAOYSA-N
XLogP3.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-methylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386864
bis(1-ethylcyclohexyl) cyclohexane-1,2-dicarboxylate
CID 67386872
bis(1-methylcyclohexyl) oxalate
CID 154101354
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
2-sulfanyloxycarbonylcyclohexane-1-carboxylic acid
CID 150374950
2-phosphanyloxycarbonylcyclohexane-1-carboxylic acid
CID 126683048
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
(1-methylcyclohexyl) acetate;propane
CID 143035856
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
(1-methyl-5-propan-2-ylcyclononyl) acetate
CID 90798249
2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262826
(1-methylcyclopentyl) 10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridecane-4-carboxylate
CID 158318049

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid (CID 67386865) is 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid is CC1(OC(=O)C2CCCCC2C(=O)O)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is ZCRYLEQWRZAAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-15(9-5-2-6-10-15)19-14(18)12-8-4-3-7-11(12)13(16)17/h11-12H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid?
2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid has a molecular weight of 268.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)oxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 67386865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).