3,5,8,8-tetramethyldodecane

C16H34 — CID 123736669

IUPAC3,5,8,8-tetramethyldodecane
SMILESCCCCC(C)(C)CCC(C)CC(C)CC
InChIInChI=1S/C16H34/c1-7-9-11-16(5,6)12-10-15(4)13-14(3)8-2/h14-15H,7-13H2,1-6H3
InChIKeyVFKYLTMCRYQAES-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds9

About 3,5,8,8-tetramethyldodecane

3,5,8,8-tetramethyldodecane (PubChem CID 123736669) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,5,8,8-tetramethyldodecane.

Molecular Properties

Compound Name3,5,8,8-tetramethyldodecane
PubChem CID123736669
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,5,8,8-tetramethyldodecane
SMILESCCCCC(C)(C)CCC(C)CC(C)CC
InChIInChI=1S/C16H34/c1-7-9-11-16(5,6)12-10-15(4)13-14(3)8-2/h14-15H,7-13H2,1-6H3
InChIKeyVFKYLTMCRYQAES-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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5,5-dimethylnonane;5-methylnonane
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3,5-dimethylpentacosane
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4,4,7-trimethyldodecane
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4-butan-2-yl-3,4,7,9-tetramethylundecane
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4,7,7,10-tetramethyltridecane
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3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
3,5,7,10,12-pentamethyltetradecane
CID 59582352
3,5,5,8-tetramethyldecane
CID 57491683
3,6,6,8-tetramethylundecane
CID 90718379

Frequently Asked Questions

What is the IUPAC name of 3,5,8,8-tetramethyldodecane?
The IUPAC name of 3,5,8,8-tetramethyldodecane (CID 123736669) is 3,5,8,8-tetramethyldodecane.
What is the SMILES notation for 3,5,8,8-tetramethyldodecane?
The canonical SMILES for 3,5,8,8-tetramethyldodecane is CCCCC(C)(C)CCC(C)CC(C)CC.
What is the InChIKey of 3,5,8,8-tetramethyldodecane?
The InChIKey is VFKYLTMCRYQAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-9-11-16(5,6)12-10-15(4)13-14(3)8-2/h14-15H,7-13H2,1-6H3.
What are the key properties of 3,5,8,8-tetramethyldodecane?
3,5,8,8-tetramethyldodecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8,8-tetramethyldodecane is sourced from PubChem (CID 123736669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).