6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane

C21H44 — CID 123138590

IUPAC6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane
SMILESCCC(C)(C)C(C)C(CC(C)C(C)C)C(C)CCC(C)C
InChIInChI=1S/C21H44/c1-11-21(9,10)19(8)20(14-18(7)16(4)5)17(6)13-12-15(2)3/h15-20H,11-14H2,1-10H3
InChIKeyWGLQYGYENXEYBE-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.43
Rot. Bonds10

About 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane

6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane (PubChem CID 123138590) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane.

Molecular Properties

Compound Name6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane
PubChem CID123138590
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane
SMILESCCC(C)(C)C(C)C(CC(C)C(C)C)C(C)CCC(C)C
InChIInChI=1S/C21H44/c1-11-21(9,10)19(8)20(14-18(7)16(4)5)17(6)13-12-15(2)3/h15-20H,11-14H2,1-10H3
InChIKeyWGLQYGYENXEYBE-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,6,6-trimethyl-5-(2-methylpropyl)octane
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2,3,4,5,6,6,7,8,9,10,11,11-dodecamethyltridecane
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3,3,4,5,7-pentamethyl-6-propan-2-ylnonane
CID 91511171
2,3,3,4,5,6,9-heptamethyldecane
CID 123303076
3,3,4,5-tetramethyldodecane
CID 175562493
2,5,6,9,10,10-hexamethyltridecane
CID 144617214
ethane;2,3,5,9-tetramethyldecane
CID 172617392
trimethyl(4,5,6,6-tetramethyloctyl)silane
CID 91457425
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CID 102426642

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane?
The IUPAC name of 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane (CID 123138590) is 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane.
What is the SMILES notation for 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane?
The canonical SMILES for 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane is CCC(C)(C)C(C)C(CC(C)C(C)C)C(C)CCC(C)C.
What is the InChIKey of 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane?
The InChIKey is WGLQYGYENXEYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-11-21(9,10)19(8)20(14-18(7)16(4)5)17(6)13-12-15(2)3/h15-20H,11-14H2,1-10H3.
What are the key properties of 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane?
6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane has a molecular weight of 296.58 g/mol, XLogP of 7.43, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane is sourced from PubChem (CID 123138590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).