5-methylicos-1-ene

C21H42 — CID 145462707

IUPAC5-methylicos-1-ene
SMILESC=CCCC(C)CCCCCCCCCCCCCCC
InChIInChI=1S/C21H42/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-7-5-2/h5,21H,2,4,6-20H2,1,3H3
InChIKeyYFQHGZLYGMOROQ-UHFFFAOYSA-N
MW294.57 g/mol
LogP8.07
Rot. Bonds17

About 5-methylicos-1-ene

5-methylicos-1-ene (PubChem CID 145462707) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 5-methylicos-1-ene.

Molecular Properties

Compound Name5-methylicos-1-ene
PubChem CID145462707
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name5-methylicos-1-ene
SMILESC=CCCC(C)CCCCCCCCCCCCCCC
InChIInChI=1S/C21H42/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-7-5-2/h5,21H,2,4,6-20H2,1,3H3
InChIKeyYFQHGZLYGMOROQ-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.07
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

5-methylheptadec-1-ene
CID 172780073
8-methylnonadec-1-ene
CID 90877384
7-methylundec-1-ene
CID 522554
13-methylhexadec-1-ene
CID 71373615
14,18,22-trimethylpentacos-1-ene
CID 91259502
11-methylhentriacontane
CID 520767
(9R)-9-methylhenicosane
CID 170848396
6-methyltetradecane
CID 529900
10,16-dimethyldotriacontane
CID 91748795
6-methyloctacosane
CID 22223942
15-methylhexatriacontane
CID 86002594
6-methylheptacosane
CID 22223776

Frequently Asked Questions

What is the IUPAC name of 5-methylicos-1-ene?
The IUPAC name of 5-methylicos-1-ene (CID 145462707) is 5-methylicos-1-ene.
What is the SMILES notation for 5-methylicos-1-ene?
The canonical SMILES for 5-methylicos-1-ene is C=CCCC(C)CCCCCCCCCCCCCCC.
What is the InChIKey of 5-methylicos-1-ene?
The InChIKey is YFQHGZLYGMOROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-7-5-2/h5,21H,2,4,6-20H2,1,3H3.
What are the key properties of 5-methylicos-1-ene?
5-methylicos-1-ene has a molecular weight of 294.57 g/mol, XLogP of 8.07, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylicos-1-ene is sourced from PubChem (CID 145462707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).