2-cyclohexyloxolane-2-carboxylic acid

C11H18O3 — CID 70073269

IUPAC2-cyclohexyloxolane-2-carboxylic acid
SMILESO=C(O)C1(C2CCCCC2)CCCO1
InChIInChI=1S/C11H18O3/c12-10(13)11(7-4-8-14-11)9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)
InChIKeyBUMLOZHUNGMPSN-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.20
Rot. Bonds2

About 2-cyclohexyloxolane-2-carboxylic acid

2-cyclohexyloxolane-2-carboxylic acid (PubChem CID 70073269) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-cyclohexyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyloxolane-2-carboxylic acid
PubChem CID70073269
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-cyclohexyloxolane-2-carboxylic acid
SMILESO=C(O)C1(C2CCCCC2)CCCO1
InChIInChI=1S/C11H18O3/c12-10(13)11(7-4-8-14-11)9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)
InChIKeyBUMLOZHUNGMPSN-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxolane-2-carboxylic acid?
The IUPAC name of 2-cyclohexyloxolane-2-carboxylic acid (CID 70073269) is 2-cyclohexyloxolane-2-carboxylic acid.
What is the SMILES notation for 2-cyclohexyloxolane-2-carboxylic acid?
The canonical SMILES for 2-cyclohexyloxolane-2-carboxylic acid is O=C(O)C1(C2CCCCC2)CCCO1.
What is the InChIKey of 2-cyclohexyloxolane-2-carboxylic acid?
The InChIKey is BUMLOZHUNGMPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10(13)11(7-4-8-14-11)9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13).
What are the key properties of 2-cyclohexyloxolane-2-carboxylic acid?
2-cyclohexyloxolane-2-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxolane-2-carboxylic acid is sourced from PubChem (CID 70073269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).