2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid

C14H24O4 — CID 107704758

IUPAC2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CCCCCCO)CCOC1C1CC1
InChIInChI=1S/C14H24O4/c15-9-4-2-1-3-7-14(13(16)17)8-10-18-12(14)11-5-6-11/h11-12,15H,1-10H2,(H,16,17)
InChIKeyAIGXQWQOVWCWDT-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.20
Rot. Bonds8

About 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid

2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid (PubChem CID 107704758) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
PubChem CID107704758
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(CCCCCCO)CCOC1C1CC1
InChIInChI=1S/C14H24O4/c15-9-4-2-1-3-7-14(13(16)17)8-10-18-12(14)11-5-6-11/h11-12,15H,1-10H2,(H,16,17)
InChIKeyAIGXQWQOVWCWDT-UHFFFAOYSA-N
XLogP2.20
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid (CID 107704758) is 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid is O=C(O)C1(CCCCCCO)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid?
The InChIKey is AIGXQWQOVWCWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c15-9-4-2-1-3-7-14(13(16)17)8-10-18-12(14)11-5-6-11/h11-12,15H,1-10H2,(H,16,17).
What are the key properties of 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid?
2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid has a molecular weight of 256.34 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 107704758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).