2,2,22,22-tetramethyl-12-nonyltricosane

C36H74 — CID 150859167

IUPAC2,2,22,22-tetramethyl-12-nonyltricosane
SMILESCCCCCCCCCC(CCCCCCCCCC(C)(C)C)CCCCCCCCCC(C)(C)C
InChIInChI=1S/C36H74/c1-8-9-10-11-14-19-24-29-34(30-25-20-15-12-17-22-27-32-35(2,3)4)31-26-21-16-13-18-23-28-33-36(5,6)7/h34H,8-33H2,1-7H3
InChIKeyKRQILCHPHTUBSU-UHFFFAOYSA-N
MW506.99 g/mol
LogP13.86
Rot. Bonds26

About 2,2,22,22-tetramethyl-12-nonyltricosane

2,2,22,22-tetramethyl-12-nonyltricosane (PubChem CID 150859167) has the molecular formula C36H74 and a molecular weight of 506.99 g/mol. Its IUPAC name is 2,2,22,22-tetramethyl-12-nonyltricosane.

Molecular Properties

Compound Name2,2,22,22-tetramethyl-12-nonyltricosane
PubChem CID150859167
Molecular FormulaC36H74
Molecular Weight506.99 g/mol
Exact Mass506.58
IUPAC Name2,2,22,22-tetramethyl-12-nonyltricosane
SMILESCCCCCCCCCC(CCCCCCCCCC(C)(C)C)CCCCCCCCCC(C)(C)C
InChIInChI=1S/C36H74/c1-8-9-10-11-14-19-24-29-34(30-25-20-15-12-17-22-27-32-35(2,3)4)31-26-21-16-13-18-23-28-33-36(5,6)7/h34H,8-33H2,1-7H3
InChIKeyKRQILCHPHTUBSU-UHFFFAOYSA-N
XLogP13.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.99
LogP ≤ 513.86
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-ethyl-2,2-dimethyltetradecane
CID 162426700
azane;2,2-dimethylundecane
CID 172735807
2,2-dimethylundecane;hydrobromide
CID 172814192
9-octyloctadecane
CID 54267850
8-pentylheptadecane
CID 90754347
23-pentyloctatetracontane
CID 90998666
7-pentyltetracosane
CID 91021095
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478

Frequently Asked Questions

What is the IUPAC name of 2,2,22,22-tetramethyl-12-nonyltricosane?
The IUPAC name of 2,2,22,22-tetramethyl-12-nonyltricosane (CID 150859167) is 2,2,22,22-tetramethyl-12-nonyltricosane.
What is the SMILES notation for 2,2,22,22-tetramethyl-12-nonyltricosane?
The canonical SMILES for 2,2,22,22-tetramethyl-12-nonyltricosane is CCCCCCCCCC(CCCCCCCCCC(C)(C)C)CCCCCCCCCC(C)(C)C.
What is the InChIKey of 2,2,22,22-tetramethyl-12-nonyltricosane?
The InChIKey is KRQILCHPHTUBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74/c1-8-9-10-11-14-19-24-29-34(30-25-20-15-12-17-22-27-32-35(2,3)4)31-26-21-16-13-18-23-28-33-36(5,6)7/h34H,8-33H2,1-7H3.
What are the key properties of 2,2,22,22-tetramethyl-12-nonyltricosane?
2,2,22,22-tetramethyl-12-nonyltricosane has a molecular weight of 506.99 g/mol, XLogP of 13.86, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,22,22-tetramethyl-12-nonyltricosane is sourced from PubChem (CID 150859167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).