2,2,6-trimethyloctane

C11H24 — CID 522006

IUPAC2,2,6-trimethyloctane
SMILESCCC(C)CCCC(C)(C)C
InChIInChI=1S/C11H24/c1-6-10(2)8-7-9-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNBIHFQKVSFKHGH-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.25
Rot. Bonds4

About 2,2,6-trimethyloctane

2,2,6-trimethyloctane (PubChem CID 522006) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 2,2,6-trimethyloctane.

Molecular Properties

Compound Name2,2,6-trimethyloctane
PubChem CID522006
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name2,2,6-trimethyloctane
SMILESCCC(C)CCCC(C)(C)C
InChIInChI=1S/C11H24/c1-6-10(2)8-7-9-11(3,4)5/h10H,6-9H2,1-5H3
InChIKeyNBIHFQKVSFKHGH-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,13-trimethylpentadecane
CID 150334228
2,3,4,4,8-pentamethyldecane
CID 123715687
2,8-dimethyldecan-2-ol
CID 122367233
(3R,7R)-3,7-dimethylnonane
CID 42626759
2,2,7-trimethylundecane
CID 57491501
3,7,7-trimethyltridecane
CID 123996242
3-methoxy-3,7-dimethylnonane
CID 118351298
2-iodo-5,9-dimethylundecan-5-ol
CID 134171381
2,2,6,6,8-pentamethyldecane
CID 123898761
9-ethyl-2,2,6,11-tetramethyltetradecane
CID 123159267
calcium;hydride;3-methylheptane
CID 174879723
2,2,6,7-tetramethylundecane
CID 123602815

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyloctane?
The IUPAC name of 2,2,6-trimethyloctane (CID 522006) is 2,2,6-trimethyloctane.
What is the SMILES notation for 2,2,6-trimethyloctane?
The canonical SMILES for 2,2,6-trimethyloctane is CCC(C)CCCC(C)(C)C.
What is the InChIKey of 2,2,6-trimethyloctane?
The InChIKey is NBIHFQKVSFKHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24/c1-6-10(2)8-7-9-11(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 2,2,6-trimethyloctane?
2,2,6-trimethyloctane has a molecular weight of 156.31 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyloctane is sourced from PubChem (CID 522006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).