3,5,6,7-tetramethyloctan-3-ol

C12H26O — CID 91548783

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

About 3,5,6,7-tetramethyloctan-3-ol

3,5,6,7-tetramethyloctan-3-ol (PubChem CID 91548783) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3,5,6,7-tetramethyloctan-3-ol.

Molecular Properties

Compound Name3,5,6,7-tetramethyloctan-3-ol
PubChem CID91548783
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3,5,6,7-tetramethyloctan-3-ol
SMILESCCC(C)(O)CC(C)C(C)C(C)C
InChIInChI=1S/C12H26O/c1-7-12(6,13)8-10(4)11(5)9(2)3/h9-11,13H,7-8H2,1-6H3
InChIKeyKOQBJRQTDKEBQY-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

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hafnium;3-methylpentan-3-ol
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2,4,6,8-tetramethyldecane-1,8-diol
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(4S)-2,3,4-trimethylhexane
CID 58359072
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
7-ethyl-3-methylnonane-3,5-diol
CID 87744147
5-ethyl-2,3,5,6,6-pentamethyloctane
CID 123388643
2-methylpentane-3,3-diol
CID 87103548

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetramethyloctan-3-ol?
The IUPAC name of 3,5,6,7-tetramethyloctan-3-ol (CID 91548783) is 3,5,6,7-tetramethyloctan-3-ol.
What is the SMILES notation for 3,5,6,7-tetramethyloctan-3-ol?
The canonical SMILES for 3,5,6,7-tetramethyloctan-3-ol is CCC(C)(O)CC(C)C(C)C(C)C.
What is the InChIKey of 3,5,6,7-tetramethyloctan-3-ol?
The InChIKey is KOQBJRQTDKEBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-7-12(6,13)8-10(4)11(5)9(2)3/h9-11,13H,7-8H2,1-6H3.
What are the key properties of 3,5,6,7-tetramethyloctan-3-ol?
3,5,6,7-tetramethyloctan-3-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 3,5,6,7-tetramethyloctan-3-ol is sourced from PubChem (CID 91548783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).