2,2,6,7-tetramethylundecane

C15H32 — CID 123602815

IUPAC2,2,6,7-tetramethylundecane
SMILESCCCCC(C)C(C)CCCC(C)(C)C
InChIInChI=1S/C15H32/c1-7-8-10-13(2)14(3)11-9-12-15(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVGNBJSLRSWPAMZ-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds7

About 2,2,6,7-tetramethylundecane

2,2,6,7-tetramethylundecane (PubChem CID 123602815) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,2,6,7-tetramethylundecane.

Molecular Properties

Compound Name2,2,6,7-tetramethylundecane
PubChem CID123602815
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,2,6,7-tetramethylundecane
SMILESCCCCC(C)C(C)CCCC(C)(C)C
InChIInChI=1S/C15H32/c1-7-8-10-13(2)14(3)11-9-12-15(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyVGNBJSLRSWPAMZ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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5,6,14,15-tetramethylnonadecane
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2,2-dimethylhexane
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2,3-dimethylheptylalumane
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2,2,6-trimethyloctane
CID 522006
azane;2,2-dimethylhexane
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CID 114210654
2,2-dimethyldodecan-6-ol
CID 175569881
2,2-dimethylhexane;2-methylpropanoic acid
CID 159057066
(5S,6R)-2,5,6-trimethyldecane
CID 154723790

Frequently Asked Questions

What is the IUPAC name of 2,2,6,7-tetramethylundecane?
The IUPAC name of 2,2,6,7-tetramethylundecane (CID 123602815) is 2,2,6,7-tetramethylundecane.
What is the SMILES notation for 2,2,6,7-tetramethylundecane?
The canonical SMILES for 2,2,6,7-tetramethylundecane is CCCCC(C)C(C)CCCC(C)(C)C.
What is the InChIKey of 2,2,6,7-tetramethylundecane?
The InChIKey is VGNBJSLRSWPAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-7-8-10-13(2)14(3)11-9-12-15(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of 2,2,6,7-tetramethylundecane?
2,2,6,7-tetramethylundecane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,7-tetramethylundecane is sourced from PubChem (CID 123602815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).