4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid

C18H32O3 — CID 114624336

IUPAC4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C18H32O3/c1-6-7-13-8-10-18(11-9-13,15(19)20)14-12-16(2,3)21-17(14,4)5/h13-14H,6-12H2,1-5H3,(H,19,20)
InChIKeyHQXHPDFADCHAPH-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.64
Rot. Bonds4

About 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid

4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 114624336) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid
PubChem CID114624336
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)(C2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C18H32O3/c1-6-7-13-8-10-18(11-9-13,15(19)20)14-12-16(2,3)21-17(14,4)5/h13-14H,6-12H2,1-5H3,(H,19,20)
InChIKeyHQXHPDFADCHAPH-UHFFFAOYSA-N
XLogP4.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid (CID 114624336) is 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)(C2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is HQXHPDFADCHAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-6-7-13-8-10-18(11-9-13,15(19)20)14-12-16(2,3)21-17(14,4)5/h13-14H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid?
4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114624336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).