3,5,7,7-tetramethyloctan-4-ol

C12H26O — CID 156689232

IUPAC3,5,7,7-tetramethyloctan-4-ol
SMILESCCC(C)C(O)C(C)CC(C)(C)C
InChIInChI=1S/C12H26O/c1-7-9(2)11(13)10(3)8-12(4,5)6/h9-11,13H,7-8H2,1-6H3
InChIKeyUQYCQPTXUONTDG-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds4

About 3,5,7,7-tetramethyloctan-4-ol

3,5,7,7-tetramethyloctan-4-ol (PubChem CID 156689232) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3,5,7,7-tetramethyloctan-4-ol.

Molecular Properties

Compound Name3,5,7,7-tetramethyloctan-4-ol
PubChem CID156689232
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3,5,7,7-tetramethyloctan-4-ol
SMILESCCC(C)C(O)C(C)CC(C)(C)C
InChIInChI=1S/C12H26O/c1-7-9(2)11(13)10(3)8-12(4,5)6/h9-11,13H,7-8H2,1-6H3
InChIKeyUQYCQPTXUONTDG-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

2,6-Dimethyl-4-heptanol
CID 7957
4-tert-Butylcyclohexanol
CID 7391
2,6,8-Trimethyl-4-nonanol
CID 61056
4-Methyl-3-heptanol
CID 26989
4-Methyl-2-propylpentan-1-ol
CID 103862
2-tert-Butylcyclohexanol
CID 26068
7-Ethyl-2-methyl-4-undecanol
CID 97948
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634
3-Methyl-2-heptanol
CID 35784
2-Methylheptan-3-ol
CID 86781
2-Methyloctan-3-ol
CID 98464

Frequently Asked Questions

What is the IUPAC name of 3,5,7,7-tetramethyloctan-4-ol?
The IUPAC name of 3,5,7,7-tetramethyloctan-4-ol (CID 156689232) is 3,5,7,7-tetramethyloctan-4-ol.
What is the SMILES notation for 3,5,7,7-tetramethyloctan-4-ol?
The canonical SMILES for 3,5,7,7-tetramethyloctan-4-ol is CCC(C)C(O)C(C)CC(C)(C)C.
What is the InChIKey of 3,5,7,7-tetramethyloctan-4-ol?
The InChIKey is UQYCQPTXUONTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-7-9(2)11(13)10(3)8-12(4,5)6/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 3,5,7,7-tetramethyloctan-4-ol?
3,5,7,7-tetramethyloctan-4-ol has a molecular weight of 186.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7,7-tetramethyloctan-4-ol is sourced from PubChem (CID 156689232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).