3-cyclopropylpropyl (Z)-octadec-9-enoate

C24H44O2 — CID 175440154

IUPAC3-cyclopropylpropyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCCC1CC1
InChIInChI=1S/C24H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(25)26-22-17-18-23-20-21-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKeySUACVQMJZKTMNP-KTKRTIGZSA-N
MW364.61 g/mol
LogP7.76
Rot. Bonds19

About 3-cyclopropylpropyl (Z)-octadec-9-enoate

3-cyclopropylpropyl (Z)-octadec-9-enoate (PubChem CID 175440154) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 3-cyclopropylpropyl (Z)-octadec-9-enoate.

Molecular Properties

Compound Name3-cyclopropylpropyl (Z)-octadec-9-enoate
PubChem CID175440154
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name3-cyclopropylpropyl (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCCCC1CC1
InChIInChI=1S/C24H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(25)26-22-17-18-23-20-21-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKeySUACVQMJZKTMNP-KTKRTIGZSA-N
XLogP7.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 57.76
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

7-cyclopropylheptyl (Z)-dodec-7-enoate
CID 70636355
9-cyclopropylnonyl hexanoate
CID 21445837
5-cyclopropylpentyl tetradecanoate
CID 21445891
[(E)-hexadec-9-enyl] (E)-hexadec-9-enoate
CID 5364639
tetracosyl (Z)-icos-11-enoate
CID 72710761
[(Z)-octadec-9-enyl] hexatriacontanoate
CID 168953377
hexadec-7-enyl tetracosanoate
CID 170849358
tetradecyl hexadec-9-enoate
CID 537017
butyl tetradec-6-enoate
CID 123290881
tetradecyl (Z)-docos-13-enoate
CID 57485367
octacosyl (Z)-tetracos-15-enoate
CID 168953212
pentacosyl icos-13-enoate
CID 166098592

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpropyl (Z)-octadec-9-enoate?
The IUPAC name of 3-cyclopropylpropyl (Z)-octadec-9-enoate (CID 175440154) is 3-cyclopropylpropyl (Z)-octadec-9-enoate.
What is the SMILES notation for 3-cyclopropylpropyl (Z)-octadec-9-enoate?
The canonical SMILES for 3-cyclopropylpropyl (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC1CC1.
What is the InChIKey of 3-cyclopropylpropyl (Z)-octadec-9-enoate?
The InChIKey is SUACVQMJZKTMNP-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(25)26-22-17-18-23-20-21-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of 3-cyclopropylpropyl (Z)-octadec-9-enoate?
3-cyclopropylpropyl (Z)-octadec-9-enoate has a molecular weight of 364.61 g/mol, XLogP of 7.76, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpropyl (Z)-octadec-9-enoate is sourced from PubChem (CID 175440154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).