2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid

C15H26O3 — CID 104575992

IUPAC2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid
SMILESCC(C)(C)C1CCC(C2OCCC2C(=O)O)CC1
InChIInChI=1S/C15H26O3/c1-15(2,3)11-6-4-10(5-7-11)13-12(14(16)17)8-9-18-13/h10-13H,4-9H2,1-3H3,(H,16,17)
InChIKeyNJPXEIXGCZUTPS-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.33
Rot. Bonds2

About 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid

2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid (PubChem CID 104575992) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid
PubChem CID104575992
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid
SMILESCC(C)(C)C1CCC(C2OCCC2C(=O)O)CC1
InChIInChI=1S/C15H26O3/c1-15(2,3)11-6-4-10(5-7-11)13-12(14(16)17)8-9-18-13/h10-13H,4-9H2,1-3H3,(H,16,17)
InChIKeyNJPXEIXGCZUTPS-UHFFFAOYSA-N
XLogP3.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid (CID 104575992) is 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid is CC(C)(C)C1CCC(C2OCCC2C(=O)O)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid?
The InChIKey is NJPXEIXGCZUTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-15(2,3)11-6-4-10(5-7-11)13-12(14(16)17)8-9-18-13/h10-13H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid?
2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 104575992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).