5,9,13,23-tetramethylnonatriacontane

C43H88 — CID 6430646

IUPAC5,9,13,23-tetramethylnonatriacontane
SMILESCCCCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCC(C)CCCC(C)CCCC
InChIInChI=1S/C43H88/c1-7-9-11-12-13-14-15-16-17-18-19-21-24-27-33-41(4)34-28-25-22-20-23-26-29-35-42(5)37-31-39-43(6)38-30-36-40(3)32-10-8-2/h40-43H,7-39H2,1-6H3
InChIKeyBISPSKSKOVFGGR-UHFFFAOYSA-N
MW605.18 g/mol
LogP16.44
Rot. Bonds36

About 5,9,13,23-tetramethylnonatriacontane

5,9,13,23-tetramethylnonatriacontane (PubChem CID 6430646) has the molecular formula C43H88 and a molecular weight of 605.18 g/mol. Its IUPAC name is 5,9,13,23-tetramethylnonatriacontane.

Molecular Properties

Compound Name5,9,13,23-tetramethylnonatriacontane
PubChem CID6430646
Molecular FormulaC43H88
Molecular Weight605.18 g/mol
Exact Mass604.69
IUPAC Name5,9,13,23-tetramethylnonatriacontane
SMILESCCCCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCC(C)CCCC(C)CCCC
InChIInChI=1S/C43H88/c1-7-9-11-12-13-14-15-16-17-18-19-21-24-27-33-41(4)34-28-25-22-20-23-26-29-35-42(5)37-31-39-43(6)38-30-36-40(3)32-10-8-2/h40-43H,7-39H2,1-6H3
InChIKeyBISPSKSKOVFGGR-UHFFFAOYSA-N
XLogP16.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.18
LogP ≤ 516.44
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

5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
(5S,9R)-5,9-dimethylpentadecane
CID 12993532
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
7,11-dimethylpentatriacontane
CID 6430674
5,13,19-trimethylheptatriacontane
CID 172565409
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416

Frequently Asked Questions

What is the IUPAC name of 5,9,13,23-tetramethylnonatriacontane?
The IUPAC name of 5,9,13,23-tetramethylnonatriacontane (CID 6430646) is 5,9,13,23-tetramethylnonatriacontane.
What is the SMILES notation for 5,9,13,23-tetramethylnonatriacontane?
The canonical SMILES for 5,9,13,23-tetramethylnonatriacontane is CCCCCCCCCCCCCCCCC(C)CCCCCCCCCC(C)CCCC(C)CCCC(C)CCCC.
What is the InChIKey of 5,9,13,23-tetramethylnonatriacontane?
The InChIKey is BISPSKSKOVFGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H88/c1-7-9-11-12-13-14-15-16-17-18-19-21-24-27-33-41(4)34-28-25-22-20-23-26-29-35-42(5)37-31-39-43(6)38-30-36-40(3)32-10-8-2/h40-43H,7-39H2,1-6H3.
What are the key properties of 5,9,13,23-tetramethylnonatriacontane?
5,9,13,23-tetramethylnonatriacontane has a molecular weight of 605.18 g/mol, XLogP of 16.44, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,13,23-tetramethylnonatriacontane is sourced from PubChem (CID 6430646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).