3,6,6,8-tetramethylundecane

C15H32 — CID 90718379

IUPAC3,6,6,8-tetramethylundecane
SMILESCCCC(C)CC(C)(C)CCC(C)CC
InChIInChI=1S/C15H32/c1-7-9-14(4)12-15(5,6)11-10-13(3)8-2/h13-14H,7-12H2,1-6H3
InChIKeyWXMHQXGXDWDESK-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds8

About 3,6,6,8-tetramethylundecane

3,6,6,8-tetramethylundecane (PubChem CID 90718379) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 3,6,6,8-tetramethylundecane.

Molecular Properties

Compound Name3,6,6,8-tetramethylundecane
PubChem CID90718379
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name3,6,6,8-tetramethylundecane
SMILESCCCC(C)CC(C)(C)CCC(C)CC
InChIInChI=1S/C15H32/c1-7-9-14(4)12-15(5,6)11-10-13(3)8-2/h13-14H,7-12H2,1-6H3
InChIKeyWXMHQXGXDWDESK-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
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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ethane;(5R)-3,3,5-trimethyloctane
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(2R,7S)-5,5,7-trimethylnonan-2-amine
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1-chloro-2,2,4-trimethylheptane
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(3R,6R)-3,6-dimethylnonane
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6,6,8-trimethyltridecane
CID 123736183
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
4,4-dimethylheptane;methane;4-methylheptane
CID 159758574
3,6,9-trimethylundecan-6-amine
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CID 160955988

Frequently Asked Questions

What is the IUPAC name of 3,6,6,8-tetramethylundecane?
The IUPAC name of 3,6,6,8-tetramethylundecane (CID 90718379) is 3,6,6,8-tetramethylundecane.
What is the SMILES notation for 3,6,6,8-tetramethylundecane?
The canonical SMILES for 3,6,6,8-tetramethylundecane is CCCC(C)CC(C)(C)CCC(C)CC.
What is the InChIKey of 3,6,6,8-tetramethylundecane?
The InChIKey is WXMHQXGXDWDESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-7-9-14(4)12-15(5,6)11-10-13(3)8-2/h13-14H,7-12H2,1-6H3.
What are the key properties of 3,6,6,8-tetramethylundecane?
3,6,6,8-tetramethylundecane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6,8-tetramethylundecane is sourced from PubChem (CID 90718379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).