5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid

C13H22O4 — CID 55067862

IUPAC5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COCC2CCCCC2)O1
InChIInChI=1S/C13H22O4/c14-13(15)12-7-6-11(17-12)9-16-8-10-4-2-1-3-5-10/h10-12H,1-9H2,(H,14,15)
InChIKeyHBFMQPRHCFZRIW-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.22
Rot. Bonds5

About 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid

5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid (PubChem CID 55067862) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
PubChem CID55067862
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COCC2CCCCC2)O1
InChIInChI=1S/C13H22O4/c14-13(15)12-7-6-11(17-12)9-16-8-10-4-2-1-3-5-10/h10-12H,1-9H2,(H,14,15)
InChIKeyHBFMQPRHCFZRIW-UHFFFAOYSA-N
XLogP2.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
CID 83212909
5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid
CID 63687060
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
(2S,5S)-5-(methylsulfonyloxymethyl)oxolane-2-carboxylic acid
CID 118169167
5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
CID 103254958
cyclohexylmethoxymethylcyclohexane;hydroxylamine
CID 67759423
5-(sulfanylmethyl)oxolane-2-carboxylic acid
CID 62298704
5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid
CID 62300450
5-[[(1-methylcyclohexyl)amino]methyl]oxolane-2-carboxylic acid
CID 103244866
5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
CID 83213949
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid (CID 55067862) is 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(COCC2CCCCC2)O1.
What is the InChIKey of 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid?
The InChIKey is HBFMQPRHCFZRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c14-13(15)12-7-6-11(17-12)9-16-8-10-4-2-1-3-5-10/h10-12H,1-9H2,(H,14,15).
What are the key properties of 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid?
5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid has a molecular weight of 242.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 55067862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).