3,4,5,6-tetramethyloctan-4-ol

C12H26O — CID 121007351

IUPAC3,4,5,6-tetramethyloctan-4-ol
SMILESCCC(C)C(C)C(C)(O)C(C)CC
InChIInChI=1S/C12H26O/c1-7-9(3)11(5)12(6,13)10(4)8-2/h9-11,13H,7-8H2,1-6H3
InChIKeyRCFMPLZEEDABBR-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds5

About 3,4,5,6-tetramethyloctan-4-ol

3,4,5,6-tetramethyloctan-4-ol (PubChem CID 121007351) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3,4,5,6-tetramethyloctan-4-ol.

Molecular Properties

Compound Name3,4,5,6-tetramethyloctan-4-ol
PubChem CID121007351
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3,4,5,6-tetramethyloctan-4-ol
SMILESCCC(C)C(C)C(C)(O)C(C)CC
InChIInChI=1S/C12H26O/c1-7-9(3)11(5)12(6,13)10(4)8-2/h9-11,13H,7-8H2,1-6H3
InChIKeyRCFMPLZEEDABBR-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

Analyze 3,4,5,6-tetramethyloctan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diamino-4,5,6,7-tetramethylnonan-5-ol
CID 138647319
1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
3-(aminomethyl)-4,5-dimethylheptan-4-ol
CID 79134739
(3R,4R)-2,2,3,4-tetramethylhexan-3-ol
CID 170849873
2,3,4-trimethylhexane-2,3-diol
CID 12714107
4,4,5,6-tetramethyloctan-2-ol
CID 156689477
1-(2-ethylbutylamino)-2,3-dimethylpentan-2-ol
CID 115756804
2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid
CID 79303592
3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol
CID 140680514
2,4,4,5-tetramethylheptan-2-ol
CID 123728080
3,3,4,5-tetramethylheptan-4-ol
CID 22899418
2,4,4,5,6-pentamethyloctane
CID 57491109

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethyloctan-4-ol?
The IUPAC name of 3,4,5,6-tetramethyloctan-4-ol (CID 121007351) is 3,4,5,6-tetramethyloctan-4-ol.
What is the SMILES notation for 3,4,5,6-tetramethyloctan-4-ol?
The canonical SMILES for 3,4,5,6-tetramethyloctan-4-ol is CCC(C)C(C)C(C)(O)C(C)CC.
What is the InChIKey of 3,4,5,6-tetramethyloctan-4-ol?
The InChIKey is RCFMPLZEEDABBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-7-9(3)11(5)12(6,13)10(4)8-2/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 3,4,5,6-tetramethyloctan-4-ol?
3,4,5,6-tetramethyloctan-4-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 3,4,5,6-tetramethyloctan-4-ol is sourced from PubChem (CID 121007351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).