2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid

C14H22O4 — CID 104509198

IUPAC2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(C2CCCCC2O)CCOC1C1CC1
InChIInChI=1S/C14H22O4/c15-11-4-2-1-3-10(11)14(13(16)17)7-8-18-12(14)9-5-6-9/h9-12,15H,1-8H2,(H,16,17)
InChIKeyGQMHSQRANAOLNZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.81
Rot. Bonds3

About 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid

2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid (PubChem CID 104509198) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid
PubChem CID104509198
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(C2CCCCC2O)CCOC1C1CC1
InChIInChI=1S/C14H22O4/c15-11-4-2-1-3-10(11)14(13(16)17)7-8-18-12(14)9-5-6-9/h9-12,15H,1-8H2,(H,16,17)
InChIKeyGQMHSQRANAOLNZ-UHFFFAOYSA-N
XLogP1.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxycycloheptyl)-2-methyloxolane-3-carboxylic acid
CID 114533925
2-cyclopropyl-3-(1,1-dioxothiolan-3-yl)oxolane-3-carboxylic acid
CID 104509180
1-(2-hydroxycycloheptyl)cyclooctane-1-carboxylic acid
CID 80611955
3-cyclopentyl-2-methyloxolane-3-carboxylic acid
CID 114533867
2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106323012
1-(2-hydroxycycloheptyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428358
1-(2-hydroxycyclopentyl)cyclohexane-1-carboxylic acid
CID 79426205
1-(2-hydroxycycloheptyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425753
2-cyclopropyl-3-(3-methoxypropyl)oxolane-3-carboxylic acid
CID 104509353
2-cyclopropyl-3-(4-hydroxybutyl)oxolane-3-carboxylic acid
CID 104509164
(1R,6S,7R)-7-bromobicyclo[4.1.0]heptane-1-carboxylic acid
CID 162367757
2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
CID 107704758

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid (CID 104509198) is 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid is O=C(O)C1(C2CCCCC2O)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid?
The InChIKey is GQMHSQRANAOLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-11-4-2-1-3-10(11)14(13(16)17)7-8-18-12(14)9-5-6-9/h9-12,15H,1-8H2,(H,16,17).
What are the key properties of 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid?
2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-hydroxycyclohexyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 104509198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).