(6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol

C12H26O3 — CID 24884266

IUPAC(6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol
SMILESCOC(C[C@@H](C)CCCC(C)(C)O)OC
InChIInChI=1S/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyQCJVKUULZGKQDG-JTQLQIEISA-N
MW218.34 g/mol
LogP2.57
Rot. Bonds8

About (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol

(6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol (PubChem CID 24884266) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol.

Molecular Properties

Compound Name(6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol
PubChem CID24884266
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name(6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol
SMILESCOC(C[C@@H](C)CCCC(C)(C)O)OC
InChIInChI=1S/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyQCJVKUULZGKQDG-JTQLQIEISA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol?
The IUPAC name of (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol (CID 24884266) is (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol.
What is the SMILES notation for (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol?
The canonical SMILES for (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol is COC(C[C@@H](C)CCCC(C)(C)O)OC.
What is the InChIKey of (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol?
The InChIKey is QCJVKUULZGKQDG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O3/c1-10(9-11(14-4)15-5)7-6-8-12(2,3)13/h10-11,13H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol?
(6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8,8-dimethoxy-2,6-dimethyloctan-2-ol is sourced from PubChem (CID 24884266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).