14,18,22-trimethylpentacos-1-ene

C28H56 — CID 91259502

IUPAC14,18,22-trimethylpentacos-1-ene
SMILESC=CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCC
InChIInChI=1S/C28H56/c1-6-8-9-10-11-12-13-14-15-16-17-21-27(4)23-19-25-28(5)24-18-22-26(3)20-7-2/h6,26-28H,1,7-25H2,2-5H3
InChIKeyONDXPPDXJLSHMM-UHFFFAOYSA-N
MW392.76 g/mol
LogP10.51
Rot. Bonds22

About 14,18,22-trimethylpentacos-1-ene

14,18,22-trimethylpentacos-1-ene (PubChem CID 91259502) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is 14,18,22-trimethylpentacos-1-ene.

Molecular Properties

Compound Name14,18,22-trimethylpentacos-1-ene
PubChem CID91259502
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name14,18,22-trimethylpentacos-1-ene
SMILESC=CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCC
InChIInChI=1S/C28H56/c1-6-8-9-10-11-12-13-14-15-16-17-21-27(4)23-19-25-28(5)24-18-22-26(3)20-7-2/h6,26-28H,1,7-25H2,2-5H3
InChIKeyONDXPPDXJLSHMM-UHFFFAOYSA-N
XLogP10.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 510.51
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'}

Analyze 14,18,22-trimethylpentacos-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-methylhexadec-1-ene
CID 71373615
8-methylnonadec-1-ene
CID 90877384
7-methylundec-1-ene
CID 522554
11-methyltridec-1-ene
CID 528465
14-methylhexadec-1-ene
CID 86185732
5-methylheptadec-1-ene
CID 172780073
5-methylicos-1-ene
CID 145462707
9-propyldodec-1-ene
CID 174048054
4,8,14-trimethyltetratriacontane
CID 6431076
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999
26-methylheptacos-1-ene
CID 154926473
25-methylhexacos-1-ene
CID 141407501

Frequently Asked Questions

What is the IUPAC name of 14,18,22-trimethylpentacos-1-ene?
The IUPAC name of 14,18,22-trimethylpentacos-1-ene (CID 91259502) is 14,18,22-trimethylpentacos-1-ene.
What is the SMILES notation for 14,18,22-trimethylpentacos-1-ene?
The canonical SMILES for 14,18,22-trimethylpentacos-1-ene is C=CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCC.
What is the InChIKey of 14,18,22-trimethylpentacos-1-ene?
The InChIKey is ONDXPPDXJLSHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56/c1-6-8-9-10-11-12-13-14-15-16-17-21-27(4)23-19-25-28(5)24-18-22-26(3)20-7-2/h6,26-28H,1,7-25H2,2-5H3.
What are the key properties of 14,18,22-trimethylpentacos-1-ene?
14,18,22-trimethylpentacos-1-ene has a molecular weight of 392.76 g/mol, XLogP of 10.51, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,18,22-trimethylpentacos-1-ene is sourced from PubChem (CID 91259502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).