3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate

C19H32O2 — CID 54021454

IUPAC3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate
SMILESO=C(CCCCCCCCC1CC1)OCC=CC1CCC1
InChIInChI=1S/C19H32O2/c20-19(21-16-8-12-17-10-7-11-17)13-6-4-2-1-3-5-9-18-14-15-18/h8,12,17-18H,1-7,9-11,13-16H2
InChIKeyKZEYJSHLPIBHJU-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.42
Rot. Bonds12

About 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate

3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate (PubChem CID 54021454) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate.

Molecular Properties

Compound Name3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate
PubChem CID54021454
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate
SMILESO=C(CCCCCCCCC1CC1)OCC=CC1CCC1
InChIInChI=1S/C19H32O2/c20-19(21-16-8-12-17-10-7-11-17)13-6-4-2-1-3-5-9-18-14-15-18/h8,12,17-18H,1-7,9-11,13-16H2
InChIKeyKZEYJSHLPIBHJU-UHFFFAOYSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
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

3-phenylprop-2-enyl 9-cyclopropylnonanoate
CID 54535707
3-(4-propylcyclohexyl)prop-2-enyl 10-[4-(dimethylamino)butanoyl-[10-oxo-10-[3-(4-propylcyclohexyl)prop-2-enoxy]decyl]phosphanyl]decanoate
CID 123668218
chloro 11-cyclopentylundecanoate
CID 140562427
4-cyclopropylbutyl 4-cyclopropylbutanoate
CID 22905862
5-cyclopropylpentyl tetradecanoate
CID 21445891
ethenyl 15-cyclohexylpentadecanoate
CID 141448465
9-cyclopropylnonyl hexanoate
CID 21445837
7-cyclopropylheptyl (Z)-dodec-7-enoate
CID 70636355
13-cyclopropyltridecyl pentanoate
CID 54121613
1-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane
CID 67946262
3-cyclopropylpropyl (Z)-octadec-9-enoate
CID 175440154
prop-2-enyl 3-cyclohexylpropanoate;prop-2-enyl heptanoate
CID 157403985

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate?
The IUPAC name of 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate (CID 54021454) is 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate.
What is the SMILES notation for 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate?
The canonical SMILES for 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate is O=C(CCCCCCCCC1CC1)OCC=CC1CCC1.
What is the InChIKey of 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate?
The InChIKey is KZEYJSHLPIBHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c20-19(21-16-8-12-17-10-7-11-17)13-6-4-2-1-3-5-9-18-14-15-18/h8,12,17-18H,1-7,9-11,13-16H2.
What are the key properties of 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate?
3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate has a molecular weight of 292.46 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylprop-2-enyl 9-cyclopropylnonanoate is sourced from PubChem (CID 54021454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).