4,4,6-trimethyloctan-2-ol

C11H24O — CID 64717881

IUPAC4,4,6-trimethyloctan-2-ol
SMILESCCC(C)CC(C)(C)CC(C)O
InChIInChI=1S/C11H24O/c1-6-9(2)7-11(4,5)8-10(3)12/h9-10,12H,6-8H2,1-5H3
InChIKeyWMMFNYKGLBYKTJ-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds5

About 4,4,6-trimethyloctan-2-ol

4,4,6-trimethyloctan-2-ol (PubChem CID 64717881) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 4,4,6-trimethyloctan-2-ol.

Molecular Properties

Compound Name4,4,6-trimethyloctan-2-ol
PubChem CID64717881
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name4,4,6-trimethyloctan-2-ol
SMILESCCC(C)CC(C)(C)CC(C)O
InChIInChI=1S/C11H24O/c1-6-9(2)7-11(4,5)8-10(3)12/h9-10,12H,6-8H2,1-5H3
InChIKeyWMMFNYKGLBYKTJ-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,6,8,8-pentamethylnonan-2-ol
CID 156689578
2,2,4-trimethylhexan-1-ol
CID 14747424
4,4,7,7-tetramethyloctan-2-ol
CID 64716189
2,2,6,6,8-pentamethyldecane
CID 123898761
3,5,5,8-tetramethyldecane
CID 57491683
4,4,8,8-tetramethylnonan-2-ol
CID 122384584
1-[3-hydroxypropyl-(2-hydroxy-4,4,6-trimethyloctyl)amino]-4,4,6-trimethyloctan-2-ol
CID 123822047
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
(2R,7S)-5,5,7-trimethylnonan-2-amine
CID 138642965
4,4-dimethyldecan-2-ol
CID 19931322

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyloctan-2-ol?
The IUPAC name of 4,4,6-trimethyloctan-2-ol (CID 64717881) is 4,4,6-trimethyloctan-2-ol.
What is the SMILES notation for 4,4,6-trimethyloctan-2-ol?
The canonical SMILES for 4,4,6-trimethyloctan-2-ol is CCC(C)CC(C)(C)CC(C)O.
What is the InChIKey of 4,4,6-trimethyloctan-2-ol?
The InChIKey is WMMFNYKGLBYKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-9(2)7-11(4,5)8-10(3)12/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 4,4,6-trimethyloctan-2-ol?
4,4,6-trimethyloctan-2-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyloctan-2-ol is sourced from PubChem (CID 64717881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).