5-cyclohexyl-2-methyloxolane-2-carboxylic acid

C12H20O3 — CID 127019504

IUPAC5-cyclohexyl-2-methyloxolane-2-carboxylic acid
SMILESCC1(C(=O)O)CCC(C2CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-12(11(13)14)8-7-10(15-12)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyZEMMCAYPUYOCGT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.59
Rot. Bonds2

About 5-cyclohexyl-2-methyloxolane-2-carboxylic acid

5-cyclohexyl-2-methyloxolane-2-carboxylic acid (PubChem CID 127019504) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-cyclohexyl-2-methyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-2-methyloxolane-2-carboxylic acid
PubChem CID127019504
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-cyclohexyl-2-methyloxolane-2-carboxylic acid
SMILESCC1(C(=O)O)CCC(C2CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-12(11(13)14)8-7-10(15-12)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyZEMMCAYPUYOCGT-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid
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1-[(4S,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 102417852
(2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-3-yl) acetate
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acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
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2-amino-1-methylcycloheptane-1-carboxylic acid
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trans-(1S,2R)-2-amino-1-methylcycloheptane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-methyloxolane-2-carboxylic acid?
The IUPAC name of 5-cyclohexyl-2-methyloxolane-2-carboxylic acid (CID 127019504) is 5-cyclohexyl-2-methyloxolane-2-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-2-methyloxolane-2-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-2-methyloxolane-2-carboxylic acid is CC1(C(=O)O)CCC(C2CCCCC2)O1.
What is the InChIKey of 5-cyclohexyl-2-methyloxolane-2-carboxylic acid?
The InChIKey is ZEMMCAYPUYOCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-12(11(13)14)8-7-10(15-12)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 5-cyclohexyl-2-methyloxolane-2-carboxylic acid?
5-cyclohexyl-2-methyloxolane-2-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-methyloxolane-2-carboxylic acid is sourced from PubChem (CID 127019504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).