2,3,6-trimethyloctan-3-ol

C11H24O — CID 122367206

IUPAC2,3,6-trimethyloctan-3-ol
SMILESCCC(C)CCC(C)(O)C(C)C
InChIInChI=1S/C11H24O/c1-6-10(4)7-8-11(5,12)9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyQTWAOVKXWSLZRL-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds5

About 2,3,6-trimethyloctan-3-ol

2,3,6-trimethyloctan-3-ol (PubChem CID 122367206) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,3,6-trimethyloctan-3-ol.

Molecular Properties

Compound Name2,3,6-trimethyloctan-3-ol
PubChem CID122367206
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,3,6-trimethyloctan-3-ol
SMILESCCC(C)CCC(C)(O)C(C)C
InChIInChI=1S/C11H24O/c1-6-10(4)7-8-11(5,12)9(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyQTWAOVKXWSLZRL-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

2,2,6,7-tetramethyloctane-3,6-diol
CID 114496700
3,6,6,9-tetramethylundecane-5,5-diol
CID 141261587
3,6,9-trimethylundecan-6-amine
CID 90972549
2,2,6-trimethyloctane
CID 522006
2,3,6,7,8-pentamethylnonan-3-ol
CID 20659783
3,5,5,8-tetramethyldecane
CID 57491683
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
2,8-dimethyldecan-2-ol
CID 122367233
2,5-dimethylheptan-2-yl carbamate
CID 123535810
3,7,7-trimethyltridecane
CID 123996242
3,3,6-trimethyloct-1-ene
CID 123906537
2,3-dimethyltridecan-3-ol
CID 14591139

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyloctan-3-ol?
The IUPAC name of 2,3,6-trimethyloctan-3-ol (CID 122367206) is 2,3,6-trimethyloctan-3-ol.
What is the SMILES notation for 2,3,6-trimethyloctan-3-ol?
The canonical SMILES for 2,3,6-trimethyloctan-3-ol is CCC(C)CCC(C)(O)C(C)C.
What is the InChIKey of 2,3,6-trimethyloctan-3-ol?
The InChIKey is QTWAOVKXWSLZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-6-10(4)7-8-11(5,12)9(2)3/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 2,3,6-trimethyloctan-3-ol?
2,3,6-trimethyloctan-3-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 2,3,6-trimethyloctan-3-ol is sourced from PubChem (CID 122367206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).