15,19,21-trimethylheptatriacontane

C40H82 — CID 20837834

IUPAC15,19,21-trimethylheptatriacontane
SMILESCCCCCCCCCCCCCCCCC(C)CC(C)CCCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C40H82/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-39(4)37-40(5)36-32-35-38(3)33-30-28-26-24-22-19-17-15-13-11-9-7-2/h38-40H,6-37H2,1-5H3
InChIKeyCWSSCJGAUKNDEZ-UHFFFAOYSA-N
MW563.10 g/mol
LogP15.42
Rot. Bonds34

About 15,19,21-trimethylheptatriacontane

15,19,21-trimethylheptatriacontane (PubChem CID 20837834) has the molecular formula C40H82 and a molecular weight of 563.10 g/mol. Its IUPAC name is 15,19,21-trimethylheptatriacontane.

Molecular Properties

Compound Name15,19,21-trimethylheptatriacontane
PubChem CID20837834
Molecular FormulaC40H82
Molecular Weight563.10 g/mol
Exact Mass562.64
IUPAC Name15,19,21-trimethylheptatriacontane
SMILESCCCCCCCCCCCCCCCCC(C)CC(C)CCCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C40H82/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-39(4)37-40(5)36-32-35-38(3)33-30-28-26-24-22-19-17-15-13-11-9-7-2/h38-40H,6-37H2,1-5H3
InChIKeyCWSSCJGAUKNDEZ-UHFFFAOYSA-N
XLogP15.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.10
LogP ≤ 515.42
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

5,15,17-trimethylpentatriacontane
CID 172565406
6,8-dimethylhexadecane
CID 91185725
11,15-dimethyloctacosane
CID 71367376
9,13-dimethylnonacosane
CID 6430077
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565
11,15-dimethyltritriacontane
CID 521778
6,10,24,28-tetramethyloctatriacontane
CID 6430659

Frequently Asked Questions

What is the IUPAC name of 15,19,21-trimethylheptatriacontane?
The IUPAC name of 15,19,21-trimethylheptatriacontane (CID 20837834) is 15,19,21-trimethylheptatriacontane.
What is the SMILES notation for 15,19,21-trimethylheptatriacontane?
The canonical SMILES for 15,19,21-trimethylheptatriacontane is CCCCCCCCCCCCCCCCC(C)CC(C)CCCC(C)CCCCCCCCCCCCCC.
What is the InChIKey of 15,19,21-trimethylheptatriacontane?
The InChIKey is CWSSCJGAUKNDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H82/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-39(4)37-40(5)36-32-35-38(3)33-30-28-26-24-22-19-17-15-13-11-9-7-2/h38-40H,6-37H2,1-5H3.
What are the key properties of 15,19,21-trimethylheptatriacontane?
15,19,21-trimethylheptatriacontane has a molecular weight of 563.10 g/mol, XLogP of 15.42, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,19,21-trimethylheptatriacontane is sourced from PubChem (CID 20837834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).