5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane

C48H100 — CID 167654054

IUPAC5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane
SMILESCC(C)CCC(CCC(C)(C)C)(CCC(C)(C)C)CCC(C)(C)C.CC(C)CCC(CCC(C)(C)C)(CCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/2C24H50/c2*1-20(2)12-13-24(17-14-21(3,4)5,18-15-22(6,7)8)19-16-23(9,10)11/h2*20H,12-19H2,1-11H3
InChIKeyQZKDLVKDYFVMOL-UHFFFAOYSA-N
MW677.33 g/mol
LogP17.78
Rot. Bonds18

About 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane

5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane (PubChem CID 167654054) has the molecular formula C48H100 and a molecular weight of 677.33 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane
PubChem CID167654054
Molecular FormulaC48H100
Molecular Weight677.33 g/mol
Exact Mass676.78
IUPAC Name5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane
SMILESCC(C)CCC(CCC(C)(C)C)(CCC(C)(C)C)CCC(C)(C)C.CC(C)CCC(CCC(C)(C)C)(CCC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/2C24H50/c2*1-20(2)12-13-24(17-14-21(3,4)5,18-15-22(6,7)8)19-16-23(9,10)11/h2*20H,12-19H2,1-11H3
InChIKeyQZKDLVKDYFVMOL-UHFFFAOYSA-N
XLogP17.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.33
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane
CID 158412329
tris(2,8-dimethyl-5-(3-methylbutyl)-5-(2-methylpropyl)nonane);methane
CID 167580098
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
4,4-diethyl-2,7-dimethyloctane
CID 57492571
2,5,8-trimethylnonan-5-ol
CID 58574498
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
2,2,7,13-tetramethyltetradecane
CID 164934007
2,5-dimethylhexan-2-ol;ethene
CID 144803935
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
2-methylnaphthalene;2,2,5-trimethylhexane
CID 145192936
2,5,5,6-tetramethyloctane
CID 53424276
6,6-dibutyl-2-methyldecane
CID 150480915

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane?
The IUPAC name of 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane (CID 167654054) is 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane?
The canonical SMILES for 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane is CC(C)CCC(CCC(C)(C)C)(CCC(C)(C)C)CCC(C)(C)C.CC(C)CCC(CCC(C)(C)C)(CCC(C)(C)C)CCC(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane?
The InChIKey is QZKDLVKDYFVMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H50/c2*1-20(2)12-13-24(17-14-21(3,4)5,18-15-22(6,7)8)19-16-23(9,10)11/h2*20H,12-19H2,1-11H3.
What are the key properties of 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane?
5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane has a molecular weight of 677.33 g/mol, XLogP of 17.78, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane is sourced from PubChem (CID 167654054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).