5,15,17-trimethylpentatriacontane

C38H78 — CID 172565406

IUPAC5,15,17-trimethylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCCC(C)CC(C)CCCCCCCCCC(C)CCCC
InChIInChI=1S/C38H78/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-26-29-33-37(4)35-38(5)34-30-27-24-21-23-25-28-32-36(3)31-9-7-2/h36-38H,6-35H2,1-5H3
InChIKeyBWSIOCZAIUZADU-UHFFFAOYSA-N
MW535.04 g/mol
LogP14.64
Rot. Bonds32

About 5,15,17-trimethylpentatriacontane

5,15,17-trimethylpentatriacontane (PubChem CID 172565406) has the molecular formula C38H78 and a molecular weight of 535.04 g/mol. Its IUPAC name is 5,15,17-trimethylpentatriacontane.

Molecular Properties

Compound Name5,15,17-trimethylpentatriacontane
PubChem CID172565406
Molecular FormulaC38H78
Molecular Weight535.04 g/mol
Exact Mass534.61
IUPAC Name5,15,17-trimethylpentatriacontane
SMILESCCCCCCCCCCCCCCCCCCC(C)CC(C)CCCCCCCCCC(C)CCCC
InChIInChI=1S/C38H78/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-26-29-33-37(4)35-38(5)34-30-27-24-21-23-25-28-32-36(3)31-9-7-2/h36-38H,6-35H2,1-5H3
InChIKeyBWSIOCZAIUZADU-UHFFFAOYSA-N
XLogP14.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.04
LogP ≤ 514.64
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

15,19,21-trimethylheptatriacontane
CID 20837834
6,8-dimethylhexadecane
CID 91185725
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
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
4,11,14,16-tetramethylicosane
CID 123438722
(4R,6S)-4,6-dimethyldodecane
CID 162976966

Frequently Asked Questions

What is the IUPAC name of 5,15,17-trimethylpentatriacontane?
The IUPAC name of 5,15,17-trimethylpentatriacontane (CID 172565406) is 5,15,17-trimethylpentatriacontane.
What is the SMILES notation for 5,15,17-trimethylpentatriacontane?
The canonical SMILES for 5,15,17-trimethylpentatriacontane is CCCCCCCCCCCCCCCCCCC(C)CC(C)CCCCCCCCCC(C)CCCC.
What is the InChIKey of 5,15,17-trimethylpentatriacontane?
The InChIKey is BWSIOCZAIUZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-26-29-33-37(4)35-38(5)34-30-27-24-21-23-25-28-32-36(3)31-9-7-2/h36-38H,6-35H2,1-5H3.
What are the key properties of 5,15,17-trimethylpentatriacontane?
5,15,17-trimethylpentatriacontane has a molecular weight of 535.04 g/mol, XLogP of 14.64, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15,17-trimethylpentatriacontane is sourced from PubChem (CID 172565406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).