2-cyclopropyl-3-hexyloxolane-3-carboxylic acid

C14H24O3 — CID 104509148

IUPAC2-cyclopropyl-3-hexyloxolane-3-carboxylic acid
SMILESCCCCCCC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C14H24O3/c1-2-3-4-5-8-14(13(15)16)9-10-17-12(14)11-6-7-11/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyNJNWDZKROPOCJB-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.23
Rot. Bonds7

About 2-cyclopropyl-3-hexyloxolane-3-carboxylic acid

2-cyclopropyl-3-hexyloxolane-3-carboxylic acid (PubChem CID 104509148) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-hexyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-hexyloxolane-3-carboxylic acid
PubChem CID104509148
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-cyclopropyl-3-hexyloxolane-3-carboxylic acid
SMILESCCCCCCC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C14H24O3/c1-2-3-4-5-8-14(13(15)16)9-10-17-12(14)11-6-7-11/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyNJNWDZKROPOCJB-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hexyloxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-hexyloxolane-3-carboxylic acid (CID 104509148) is 2-cyclopropyl-3-hexyloxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-hexyloxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-hexyloxolane-3-carboxylic acid is CCCCCCC1(C(=O)O)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-hexyloxolane-3-carboxylic acid?
The InChIKey is NJNWDZKROPOCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-2-3-4-5-8-14(13(15)16)9-10-17-12(14)11-6-7-11/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-3-hexyloxolane-3-carboxylic acid?
2-cyclopropyl-3-hexyloxolane-3-carboxylic acid has a molecular weight of 240.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-hexyloxolane-3-carboxylic acid is sourced from PubChem (CID 104509148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).