3,5,7,9-tetramethyldodecane

C16H34 — CID 91047062

IUPAC3,5,7,9-tetramethyldodecane
SMILESCCCC(C)CC(C)CC(C)CC(C)CC
InChIInChI=1S/C16H34/c1-7-9-14(4)11-16(6)12-15(5)10-13(3)8-2/h13-16H,7-12H2,1-6H3
InChIKeyKNPHFQOZWKBRNH-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds9

About 3,5,7,9-tetramethyldodecane

3,5,7,9-tetramethyldodecane (PubChem CID 91047062) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 3,5,7,9-tetramethyldodecane.

Molecular Properties

Compound Name3,5,7,9-tetramethyldodecane
PubChem CID91047062
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name3,5,7,9-tetramethyldodecane
SMILESCCCC(C)CC(C)CC(C)CC(C)CC
InChIInChI=1S/C16H34/c1-7-9-14(4)11-16(6)12-15(5)10-13(3)8-2/h13-16H,7-12H2,1-6H3
InChIKeyKNPHFQOZWKBRNH-UHFFFAOYSA-N
XLogP5.91
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 ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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7-ethyl-3,5,9-trimethyldodecane
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3,5,7,10,12-pentamethyltetradecane
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2,4,6,8,10,12-hexamethylpentadecane
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2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10-pentamethyltridecane
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3,9,11-trimethyltetradecane
CID 158626683
(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane
CID 56970315
(2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile
CID 135772574
3,5-dimethylheptane;ethane
CID 172617343
2,4,7,9-tetramethylundecane
CID 91346710
3,5-dimethylpentacosane
CID 86177199

Frequently Asked Questions

What is the IUPAC name of 3,5,7,9-tetramethyldodecane?
The IUPAC name of 3,5,7,9-tetramethyldodecane (CID 91047062) is 3,5,7,9-tetramethyldodecane.
What is the SMILES notation for 3,5,7,9-tetramethyldodecane?
The canonical SMILES for 3,5,7,9-tetramethyldodecane is CCCC(C)CC(C)CC(C)CC(C)CC.
What is the InChIKey of 3,5,7,9-tetramethyldodecane?
The InChIKey is KNPHFQOZWKBRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-7-9-14(4)11-16(6)12-15(5)10-13(3)8-2/h13-16H,7-12H2,1-6H3.
What are the key properties of 3,5,7,9-tetramethyldodecane?
3,5,7,9-tetramethyldodecane has a molecular weight of 226.45 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7,9-tetramethyldodecane is sourced from PubChem (CID 91047062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).