4,4,5,6-tetramethyloctan-2-ol

C12H26O — CID 156689477

IUPAC4,4,5,6-tetramethyloctan-2-ol
SMILESCCC(C)C(C)C(C)(C)CC(C)O
InChIInChI=1S/C12H26O/c1-7-9(2)11(4)12(5,6)8-10(3)13/h9-11,13H,7-8H2,1-6H3
InChIKeyFXNDBENFRKKLSG-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds5

About 4,4,5,6-tetramethyloctan-2-ol

4,4,5,6-tetramethyloctan-2-ol (PubChem CID 156689477) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 4,4,5,6-tetramethyloctan-2-ol.

Molecular Properties

Compound Name4,4,5,6-tetramethyloctan-2-ol
PubChem CID156689477
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name4,4,5,6-tetramethyloctan-2-ol
SMILESCCC(C)C(C)C(C)(C)CC(C)O
InChIInChI=1S/C12H26O/c1-7-9(2)11(4)12(5,6)8-10(3)13/h9-11,13H,7-8H2,1-6H3
InChIKeyFXNDBENFRKKLSG-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4,5,6-pentamethyloctane
CID 57491109
2,3,5,5,6,7-hexamethylnonane
CID 91311352
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993
5-amino-4,4-dimethylheptan-2-ol;ethane
CID 170613852
(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
CID 97033653
3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol
CID 140680514
6-methoxy-4,4,5-trimethylhexan-2-ol
CID 64715140
3,5,7,7-tetramethyloctan-4-ol
CID 156689232
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
3,4,5,6-tetramethyloctan-4-ol
CID 121007351
4,4,6-trimethyloctan-2-ol
CID 64717881
2-ethyl-2-methylpentane-1,4-diol
CID 57298661

Frequently Asked Questions

What is the IUPAC name of 4,4,5,6-tetramethyloctan-2-ol?
The IUPAC name of 4,4,5,6-tetramethyloctan-2-ol (CID 156689477) is 4,4,5,6-tetramethyloctan-2-ol.
What is the SMILES notation for 4,4,5,6-tetramethyloctan-2-ol?
The canonical SMILES for 4,4,5,6-tetramethyloctan-2-ol is CCC(C)C(C)C(C)(C)CC(C)O.
What is the InChIKey of 4,4,5,6-tetramethyloctan-2-ol?
The InChIKey is FXNDBENFRKKLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-7-9(2)11(4)12(5,6)8-10(3)13/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 4,4,5,6-tetramethyloctan-2-ol?
4,4,5,6-tetramethyloctan-2-ol has a molecular weight of 186.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6-tetramethyloctan-2-ol is sourced from PubChem (CID 156689477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).