2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid

C13H20O3 — CID 104509214

IUPAC2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
SMILESC=CCCCC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C13H20O3/c1-2-3-4-7-13(12(14)15)8-9-16-11(13)10-5-6-10/h2,10-11H,1,3-9H2,(H,14,15)
InChIKeyWUKZSMSWBIIKQK-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.61
Rot. Bonds6

About 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid

2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid (PubChem CID 104509214) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
PubChem CID104509214
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid
SMILESC=CCCCC1(C(=O)O)CCOC1C1CC1
InChIInChI=1S/C13H20O3/c1-2-3-4-7-13(12(14)15)8-9-16-11(13)10-5-6-10/h2,10-11H,1,3-9H2,(H,14,15)
InChIKeyWUKZSMSWBIIKQK-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-3-(4-hydroxybutyl)oxolane-3-carboxylic acid
CID 104509164
2-cyclopropyl-3-(6-hydroxyhexyl)oxolane-3-carboxylic acid
CID 107704758
2-cyclopropyl-3-(3-methoxypropyl)oxolane-3-carboxylic acid
CID 104509353
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
CID 104509316
2-cyclopropyl-3-(trimethylsilylmethyl)oxolane-3-carboxylic acid
CID 106323012
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolane-3-carboxylic acid
CID 103034811
2-cyclopropyl-3-(2-pyridin-4-ylethyl)oxolane-3-carboxylic acid
CID 104509322
2-cyclopropyl-3-[(5-methyloxolan-2-yl)methyl]oxolane-3-carboxylic acid
CID 103136129
2-cyclopropyl-3-[(3-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 104509235
1-pent-4-enyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79429426
3-(3-ethoxypropyl)-2-methyloxolane-3-carboxylic acid
CID 114533764
2-pent-4-enylpyrrolidine-2-carboxylic acid
CID 115563174

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid (CID 104509214) is 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid is C=CCCCC1(C(=O)O)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid?
The InChIKey is WUKZSMSWBIIKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-3-4-7-13(12(14)15)8-9-16-11(13)10-5-6-10/h2,10-11H,1,3-9H2,(H,14,15).
What are the key properties of 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid?
2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid has a molecular weight of 224.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-pent-4-enyloxolane-3-carboxylic acid is sourced from PubChem (CID 104509214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).