(Z)-pentacos-16-en-2-one

C25H48O — CID 90307095

IUPAC(Z)-pentacos-16-en-2-one
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C25H48O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26/h10-11H,3-9,12-24H2,1-2H3/b11-10-
InChIKeyCNKWLDSFHCGVPO-KHPPLWFESA-N
MW364.66 g/mol
LogP8.95
Rot. Bonds21

About (Z)-pentacos-16-en-2-one

(Z)-pentacos-16-en-2-one (PubChem CID 90307095) has the molecular formula C25H48O and a molecular weight of 364.66 g/mol. Its IUPAC name is (Z)-pentacos-16-en-2-one.

Molecular Properties

Compound Name(Z)-pentacos-16-en-2-one
PubChem CID90307095
Molecular FormulaC25H48O
Molecular Weight364.66 g/mol
Exact Mass364.37
IUPAC Name(Z)-pentacos-16-en-2-one
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C25H48O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26/h10-11H,3-9,12-24H2,1-2H3/b11-10-
InChIKeyCNKWLDSFHCGVPO-KHPPLWFESA-N
XLogP8.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

henicos-9-en-2-one
CID 91100997
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-heptadec-7-en-2-one
CID 90307080
(E)-icos-10-en-2-one
CID 137410632
(Z)-tricos-16-en-2-one
CID 134866400
tetratriacont-20-en-2-one
CID 56637991
disodium;hydride;(Z)-nonadec-10-en-2-one
CID 175011557
heptatriaconta-6,28-dien-2-one
CID 549930
pentadec-10-en-2-one
CID 71443705
(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807
dodec-7-en-2-one
CID 123882998
nonadeca-9,11-dien-2-one
CID 76564066

Frequently Asked Questions

What is the IUPAC name of (Z)-pentacos-16-en-2-one?
The IUPAC name of (Z)-pentacos-16-en-2-one (CID 90307095) is (Z)-pentacos-16-en-2-one.
What is the SMILES notation for (Z)-pentacos-16-en-2-one?
The canonical SMILES for (Z)-pentacos-16-en-2-one is CCCCCCCC/C=C\CCCCCCCCCCCCCC(C)=O.
What is the InChIKey of (Z)-pentacos-16-en-2-one?
The InChIKey is CNKWLDSFHCGVPO-KHPPLWFESA-N. The full InChI is InChI=1S/C25H48O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26/h10-11H,3-9,12-24H2,1-2H3/b11-10-.
What are the key properties of (Z)-pentacos-16-en-2-one?
(Z)-pentacos-16-en-2-one has a molecular weight of 364.66 g/mol, XLogP of 8.95, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pentacos-16-en-2-one is sourced from PubChem (CID 90307095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).