2,6,10-trimethyldodecane

C15H32 — CID 19773

IUPAC2,6,10-trimethyldodecane
SMILESCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyYFHFHLSMISYUAQ-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.67
Rot. Bonds9

About 2,6,10-trimethyldodecane

2,6,10-trimethyldodecane (PubChem CID 19773) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,6,10-trimethyldodecane.

Molecular Properties

Compound Name2,6,10-trimethyldodecane
PubChem CID19773
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,6,10-trimethyldodecane
SMILESCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyYFHFHLSMISYUAQ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyldodecane?
The IUPAC name of 2,6,10-trimethyldodecane (CID 19773) is 2,6,10-trimethyldodecane.
What is the SMILES notation for 2,6,10-trimethyldodecane?
The canonical SMILES for 2,6,10-trimethyldodecane is CCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 2,6,10-trimethyldodecane?
The InChIKey is YFHFHLSMISYUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of 2,6,10-trimethyldodecane?
2,6,10-trimethyldodecane has a molecular weight of 212.42 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyldodecane is sourced from PubChem (CID 19773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).