8-ethenyldocosan-7-one

C24H46O — CID 142765848

IUPAC8-ethenyldocosan-7-one
SMILESC=CC(CCCCCCCCCCCCCC)C(=O)CCCCCC
InChIInChI=1S/C24H46O/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-23(6-3)24(25)22-20-10-8-5-2/h6,23H,3-5,7-22H2,1-2H3
InChIKeyMYWPZSYRUDLOQD-UHFFFAOYSA-N
MW350.63 g/mol
LogP8.42
Rot. Bonds20

About 8-ethenyldocosan-7-one

8-ethenyldocosan-7-one (PubChem CID 142765848) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 8-ethenyldocosan-7-one.

Molecular Properties

Compound Name8-ethenyldocosan-7-one
PubChem CID142765848
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name8-ethenyldocosan-7-one
SMILESC=CC(CCCCCCCCCCCCCC)C(=O)CCCCCC
InChIInChI=1S/C24H46O/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-23(6-3)24(25)22-20-10-8-5-2/h6,23H,3-5,7-22H2,1-2H3
InChIKeyMYWPZSYRUDLOQD-UHFFFAOYSA-N
XLogP8.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.42
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

2-dodecyl-3-oxopentadecanal
CID 91176354
2-nonadecyl-3-oxodocosanal
CID 90945652
3-ethenylnonan-2-one;nonadecan-2-one
CID 159197887
4-ethenyl-2-methyloctadecan-3-one
CID 142756514
3-methylhexadec-1-en-4-one
CID 15633952
methyl 2-ethenyloctanoate
CID 12739558
13-pentadecylheptacosane-12,14-dione
CID 141100144
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
15-hydroxyoctacosan-14-one
CID 11270216
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
(11S)-11-hydroxyicosan-10-one
CID 98053519
[(Z)-2-ethenylhexadec-9-enoyl] 2-ethenylhexadec-9-enoate
CID 174781786

Frequently Asked Questions

What is the IUPAC name of 8-ethenyldocosan-7-one?
The IUPAC name of 8-ethenyldocosan-7-one (CID 142765848) is 8-ethenyldocosan-7-one.
What is the SMILES notation for 8-ethenyldocosan-7-one?
The canonical SMILES for 8-ethenyldocosan-7-one is C=CC(CCCCCCCCCCCCCC)C(=O)CCCCCC.
What is the InChIKey of 8-ethenyldocosan-7-one?
The InChIKey is MYWPZSYRUDLOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-23(6-3)24(25)22-20-10-8-5-2/h6,23H,3-5,7-22H2,1-2H3.
What are the key properties of 8-ethenyldocosan-7-one?
8-ethenyldocosan-7-one has a molecular weight of 350.63 g/mol, XLogP of 8.42, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyldocosan-7-one is sourced from PubChem (CID 142765848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).