tricos-1-en-11-one

C23H44O — CID 146680996

IUPACtricos-1-en-11-one
SMILESC=CCCCCCCCCC(=O)CCCCCCCCCCCC
InChIInChI=1S/C23H44O/c1-3-5-7-9-11-13-14-16-18-20-22-23(24)21-19-17-15-12-10-8-6-4-2/h4H,2-3,5-22H2,1H3
InChIKeyKMFCPIAVJLOMMO-UHFFFAOYSA-N
MW336.60 g/mol
LogP8.17
Rot. Bonds20

About tricos-1-en-11-one

tricos-1-en-11-one (PubChem CID 146680996) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is tricos-1-en-11-one.

Molecular Properties

Compound Nametricos-1-en-11-one
PubChem CID146680996
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Nametricos-1-en-11-one
SMILESC=CCCCCCCCCC(=O)CCCCCCCCCCCC
InChIInChI=1S/C23H44O/c1-3-5-7-9-11-13-14-16-18-20-22-23(24)21-19-17-15-12-10-8-6-4-2/h4H,2-3,5-22H2,1H3
InChIKeyKMFCPIAVJLOMMO-UHFFFAOYSA-N
XLogP8.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 58.17
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

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CID 21420755
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tetradec-1-en-5-one
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tricosa-1,22-dien-12-one
CID 86210796
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tetracosa-20,23-dien-10-one
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CID 11849500
non-8-en-4-one
CID 11137251
acetic acid;oct-1-ene
CID 159976970
indium(3+);octadec-1-ene;tris(tetradecanoate)
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Frequently Asked Questions

What is the IUPAC name of tricos-1-en-11-one?
The IUPAC name of tricos-1-en-11-one (CID 146680996) is tricos-1-en-11-one.
What is the SMILES notation for tricos-1-en-11-one?
The canonical SMILES for tricos-1-en-11-one is C=CCCCCCCCCC(=O)CCCCCCCCCCCC.
What is the InChIKey of tricos-1-en-11-one?
The InChIKey is KMFCPIAVJLOMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O/c1-3-5-7-9-11-13-14-16-18-20-22-23(24)21-19-17-15-12-10-8-6-4-2/h4H,2-3,5-22H2,1H3.
What are the key properties of tricos-1-en-11-one?
tricos-1-en-11-one has a molecular weight of 336.60 g/mol, XLogP of 8.17, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricos-1-en-11-one is sourced from PubChem (CID 146680996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).