(E)-2,10,16-trimethyldocos-2-enal

C25H48O — CID 14804078

IUPAC(E)-2,10,16-trimethyldocos-2-enal
SMILESCCCCCCC(C)CCCCCC(C)CCCCCC/C=C(\C)C=O
InChIInChI=1S/C25H48O/c1-5-6-7-12-17-23(2)19-15-11-16-20-24(3)18-13-9-8-10-14-21-25(4)22-26/h21-24H,5-20H2,1-4H3/b25-21+
InChIKeyPKNPCJNZCKFJLV-NJNXFGOHSA-N
MW364.66 g/mol
LogP8.67
Rot. Bonds19

About (E)-2,10,16-trimethyldocos-2-enal

(E)-2,10,16-trimethyldocos-2-enal (PubChem CID 14804078) has the molecular formula C25H48O and a molecular weight of 364.66 g/mol. Its IUPAC name is (E)-2,10,16-trimethyldocos-2-enal.

Molecular Properties

Compound Name(E)-2,10,16-trimethyldocos-2-enal
PubChem CID14804078
Molecular FormulaC25H48O
Molecular Weight364.66 g/mol
Exact Mass364.37
IUPAC Name(E)-2,10,16-trimethyldocos-2-enal
SMILESCCCCCCC(C)CCCCCC(C)CCCCCC/C=C(\C)C=O
InChIInChI=1S/C25H48O/c1-5-6-7-12-17-23(2)19-15-11-16-20-24(3)18-13-9-8-10-14-21-25(4)22-26/h21-24H,5-20H2,1-4H3/b25-21+
InChIKeyPKNPCJNZCKFJLV-NJNXFGOHSA-N
XLogP8.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethylhexadec-2-enoic acid
CID 90737317
5,9-dimethylhexadecanal
CID 123900450
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
10,16-dimethyldotriacontane
CID 91748795
6-methyloctacosane
CID 22223942
15-methylhexatriacontane
CID 86002594
6-methylheptacosane
CID 22223776
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of (E)-2,10,16-trimethyldocos-2-enal?
The IUPAC name of (E)-2,10,16-trimethyldocos-2-enal (CID 14804078) is (E)-2,10,16-trimethyldocos-2-enal.
What is the SMILES notation for (E)-2,10,16-trimethyldocos-2-enal?
The canonical SMILES for (E)-2,10,16-trimethyldocos-2-enal is CCCCCCC(C)CCCCCC(C)CCCCCC/C=C(\C)C=O.
What is the InChIKey of (E)-2,10,16-trimethyldocos-2-enal?
The InChIKey is PKNPCJNZCKFJLV-NJNXFGOHSA-N. The full InChI is InChI=1S/C25H48O/c1-5-6-7-12-17-23(2)19-15-11-16-20-24(3)18-13-9-8-10-14-21-25(4)22-26/h21-24H,5-20H2,1-4H3/b25-21+.
What are the key properties of (E)-2,10,16-trimethyldocos-2-enal?
(E)-2,10,16-trimethyldocos-2-enal has a molecular weight of 364.66 g/mol, XLogP of 8.67, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,10,16-trimethyldocos-2-enal is sourced from PubChem (CID 14804078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).