25-methylhexacos-1-ene

C27H54 — CID 141407501

IUPAC25-methylhexacos-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C27H54/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h4,27H,1,5-26H2,2-3H3
InChIKeyLLNHBWJAOZTJMJ-UHFFFAOYSA-N
MW378.73 g/mol
LogP10.41
Rot. Bonds23

About 25-methylhexacos-1-ene

25-methylhexacos-1-ene (PubChem CID 141407501) has the molecular formula C27H54 and a molecular weight of 378.73 g/mol. Its IUPAC name is 25-methylhexacos-1-ene.

Molecular Properties

Compound Name25-methylhexacos-1-ene
PubChem CID141407501
Molecular FormulaC27H54
Molecular Weight378.73 g/mol
Exact Mass378.42
IUPAC Name25-methylhexacos-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C27H54/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h4,27H,1,5-26H2,2-3H3
InChIKeyLLNHBWJAOZTJMJ-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

26-methylheptacos-1-ene
CID 154926473
12-propan-2-yltricosa-1,22-diene
CID 102161324
11-methyltridec-1-ene
CID 528465
14-methylhexadec-1-ene
CID 86185732
N-methyloct-7-en-2-amine
CID 64502847
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
11-methyldodeca-1,3-diene
CID 154156925
8-methylnonadec-1-ene
CID 90877384
2-methylundec-10-enal
CID 547085
dec-9-ene-2,3-diol
CID 107008756
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999

Frequently Asked Questions

What is the IUPAC name of 25-methylhexacos-1-ene?
The IUPAC name of 25-methylhexacos-1-ene (CID 141407501) is 25-methylhexacos-1-ene.
What is the SMILES notation for 25-methylhexacos-1-ene?
The canonical SMILES for 25-methylhexacos-1-ene is C=CCCCCCCCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 25-methylhexacos-1-ene?
The InChIKey is LLNHBWJAOZTJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h4,27H,1,5-26H2,2-3H3.
What are the key properties of 25-methylhexacos-1-ene?
25-methylhexacos-1-ene has a molecular weight of 378.73 g/mol, XLogP of 10.41, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 25-methylhexacos-1-ene is sourced from PubChem (CID 141407501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).