5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane

C19H42 — CID 160846124

IUPAC5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
SMILESC.CC(C)(C)CCC(CCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H38.CH4/c1-16(2,3)12-10-15(14-18(7,8)9)11-13-17(4,5)6;/h15H,10-14H2,1-9H3;1H4
InChIKeySIQYQQZGBZUCEO-UHFFFAOYSA-N
MW270.54 g/mol
LogP7.33
Rot. Bonds5

About 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane

5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane (PubChem CID 160846124) has the molecular formula C19H42 and a molecular weight of 270.54 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
PubChem CID160846124
Molecular FormulaC19H42
Molecular Weight270.54 g/mol
Exact Mass270.33
IUPAC Name5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
SMILESC.CC(C)(C)CCC(CCC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H38.CH4/c1-16(2,3)12-10-15(14-18(7,8)9)11-13-17(4,5)6;/h15H,10-14H2,1-9H3;1H4
InChIKeySIQYQQZGBZUCEO-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.54
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,2,8,8-tetramethylnonan-5-ol
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2,2,8,8-tetramethylnonan-4-ol
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2-(2,2-dimethylpropyl)butane-1,4-diol
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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane?
The IUPAC name of 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane (CID 160846124) is 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane?
The canonical SMILES for 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane is C.CC(C)(C)CCC(CCC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane?
The InChIKey is SIQYQQZGBZUCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.CH4/c1-16(2,3)12-10-15(14-18(7,8)9)11-13-17(4,5)6;/h15H,10-14H2,1-9H3;1H4.
What are the key properties of 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane?
5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane has a molecular weight of 270.54 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane is sourced from PubChem (CID 160846124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).