26-methylheptacos-1-ene

C28H56 — CID 154926473

IUPAC26-methylheptacos-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C28H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(2)3/h4,28H,1,5-27H2,2-3H3
InChIKeyCCHSQTRMAPEKLC-UHFFFAOYSA-N
MW392.76 g/mol
LogP10.80
Rot. Bonds24

About 26-methylheptacos-1-ene

26-methylheptacos-1-ene (PubChem CID 154926473) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is 26-methylheptacos-1-ene.

Molecular Properties

Compound Name26-methylheptacos-1-ene
PubChem CID154926473
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name26-methylheptacos-1-ene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C28H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(2)3/h4,28H,1,5-27H2,2-3H3
InChIKeyCCHSQTRMAPEKLC-UHFFFAOYSA-N
XLogP10.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 510.80
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

25-methylhexacos-1-ene
CID 141407501
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 26-methylheptacos-1-ene?
The IUPAC name of 26-methylheptacos-1-ene (CID 154926473) is 26-methylheptacos-1-ene.
What is the SMILES notation for 26-methylheptacos-1-ene?
The canonical SMILES for 26-methylheptacos-1-ene is C=CCCCCCCCCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 26-methylheptacos-1-ene?
The InChIKey is CCHSQTRMAPEKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(2)3/h4,28H,1,5-27H2,2-3H3.
What are the key properties of 26-methylheptacos-1-ene?
26-methylheptacos-1-ene has a molecular weight of 392.76 g/mol, XLogP of 10.80, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 26-methylheptacos-1-ene is sourced from PubChem (CID 154926473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).