propyl (Z)-icos-9-enoate

C23H44O2 — CID 139794714

IUPACpropyl (Z)-icos-9-enoate
SMILESCCCCCCCCCC/C=C\CCCCCCCC(=O)OCCC
InChIInChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h13-14H,3-12,15-22H2,1-2H3/b14-13-
InChIKeyIZVIFBYERXETLE-YPKPFQOOSA-N
MW352.60 g/mol
LogP7.76
Rot. Bonds19

About propyl (Z)-icos-9-enoate

propyl (Z)-icos-9-enoate (PubChem CID 139794714) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is propyl (Z)-icos-9-enoate.

Molecular Properties

Compound Namepropyl (Z)-icos-9-enoate
PubChem CID139794714
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Namepropyl (Z)-icos-9-enoate
SMILESCCCCCCCCCC/C=C\CCCCCCCC(=O)OCCC
InChIInChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h13-14H,3-12,15-22H2,1-2H3/b14-13-
InChIKeyIZVIFBYERXETLE-YPKPFQOOSA-N
XLogP7.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
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

propyl (E)-octadec-9-enoate
CID 5463340
propyl (Z)-octadec-9-enoate
CID 5356106
propyl octadec-12-enoate
CID 123380222
propan-1-ol;propyl octadec-9-enoate
CID 173390111
propyl icosa-8,11,14-trienoate
CID 54202296
tetracosyl (Z)-icos-11-enoate
CID 72710761
pentacosyl icos-13-enoate
CID 166098592
decyl docos-13-enoate
CID 54397897
octyl (E)-octadec-10-enoate
CID 21291230
butyl (Z)-docos-13-enoate
CID 6436513
hexadec-7-enyl tetracosanoate
CID 170849358
tetradecyl hexadec-9-enoate
CID 537017

Frequently Asked Questions

What is the IUPAC name of propyl (Z)-icos-9-enoate?
The IUPAC name of propyl (Z)-icos-9-enoate (CID 139794714) is propyl (Z)-icos-9-enoate.
What is the SMILES notation for propyl (Z)-icos-9-enoate?
The canonical SMILES for propyl (Z)-icos-9-enoate is CCCCCCCCCC/C=C\CCCCCCCC(=O)OCCC.
What is the InChIKey of propyl (Z)-icos-9-enoate?
The InChIKey is IZVIFBYERXETLE-YPKPFQOOSA-N. The full InChI is InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22-4-2/h13-14H,3-12,15-22H2,1-2H3/b14-13-.
What are the key properties of propyl (Z)-icos-9-enoate?
propyl (Z)-icos-9-enoate has a molecular weight of 352.60 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 propyl (Z)-icos-9-enoate is sourced from PubChem (CID 139794714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).