5,8,18,24-tetramethylhentriacontane

C35H72 — CID 6430103

IUPAC5,8,18,24-tetramethylhentriacontane
SMILESCCCCCCCC(C)CCCCCC(C)CCCCCCCCCC(C)CCC(C)CCCC
InChIInChI=1S/C35H72/c1-7-9-11-15-19-25-32(3)27-22-18-23-28-33(4)26-20-16-13-12-14-17-21-29-35(6)31-30-34(5)24-10-8-2/h32-35H,7-31H2,1-6H3
InChIKeyVRQZMQHRXNCZJS-UHFFFAOYSA-N
MW492.96 g/mol
LogP13.32
Rot. Bonds28

About 5,8,18,24-tetramethylhentriacontane

5,8,18,24-tetramethylhentriacontane (PubChem CID 6430103) has the molecular formula C35H72 and a molecular weight of 492.96 g/mol. Its IUPAC name is 5,8,18,24-tetramethylhentriacontane.

Molecular Properties

Compound Name5,8,18,24-tetramethylhentriacontane
PubChem CID6430103
Molecular FormulaC35H72
Molecular Weight492.96 g/mol
Exact Mass492.56
IUPAC Name5,8,18,24-tetramethylhentriacontane
SMILESCCCCCCCC(C)CCCCCC(C)CCCCCCCCCC(C)CCC(C)CCCC
InChIInChI=1S/C35H72/c1-7-9-11-15-19-25-32(3)27-22-18-23-28-33(4)26-20-16-13-12-14-17-21-29-35(6)31-30-34(5)24-10-8-2/h32-35H,7-31H2,1-6H3
InChIKeyVRQZMQHRXNCZJS-UHFFFAOYSA-N
XLogP13.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.96
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,15-dimethylpentatriacontane
CID 6430641
11,14-dimethylhexacosane
CID 86148083
5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646

Frequently Asked Questions

What is the IUPAC name of 5,8,18,24-tetramethylhentriacontane?
The IUPAC name of 5,8,18,24-tetramethylhentriacontane (CID 6430103) is 5,8,18,24-tetramethylhentriacontane.
What is the SMILES notation for 5,8,18,24-tetramethylhentriacontane?
The canonical SMILES for 5,8,18,24-tetramethylhentriacontane is CCCCCCCC(C)CCCCCC(C)CCCCCCCCCC(C)CCC(C)CCCC.
What is the InChIKey of 5,8,18,24-tetramethylhentriacontane?
The InChIKey is VRQZMQHRXNCZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72/c1-7-9-11-15-19-25-32(3)27-22-18-23-28-33(4)26-20-16-13-12-14-17-21-29-35(6)31-30-34(5)24-10-8-2/h32-35H,7-31H2,1-6H3.
What are the key properties of 5,8,18,24-tetramethylhentriacontane?
5,8,18,24-tetramethylhentriacontane has a molecular weight of 492.96 g/mol, XLogP of 13.32, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,18,24-tetramethylhentriacontane is sourced from PubChem (CID 6430103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).