8,8-diethoxy-2,6-dimethyloctan-2-ol

C14H30O3 — CID 5463911

IUPAC8,8-diethoxy-2,6-dimethyloctan-2-ol
SMILESCCOC(CC(C)CCCC(C)(C)O)OCC
InChIInChI=1S/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3
InChIKeyXOJDKWNFMFCXNE-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.35
Rot. Bonds10

About 8,8-diethoxy-2,6-dimethyloctan-2-ol

8,8-diethoxy-2,6-dimethyloctan-2-ol (PubChem CID 5463911) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 8,8-diethoxy-2,6-dimethyloctan-2-ol.

Molecular Properties

Compound Name8,8-diethoxy-2,6-dimethyloctan-2-ol
PubChem CID5463911
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name8,8-diethoxy-2,6-dimethyloctan-2-ol
SMILESCCOC(CC(C)CCCC(C)(C)O)OCC
InChIInChI=1S/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3
InChIKeyXOJDKWNFMFCXNE-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-diethoxy-2,6-dimethyloctan-2-ol?
The IUPAC name of 8,8-diethoxy-2,6-dimethyloctan-2-ol (CID 5463911) is 8,8-diethoxy-2,6-dimethyloctan-2-ol.
What is the SMILES notation for 8,8-diethoxy-2,6-dimethyloctan-2-ol?
The canonical SMILES for 8,8-diethoxy-2,6-dimethyloctan-2-ol is CCOC(CC(C)CCCC(C)(C)O)OCC.
What is the InChIKey of 8,8-diethoxy-2,6-dimethyloctan-2-ol?
The InChIKey is XOJDKWNFMFCXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-6-16-13(17-7-2)11-12(3)9-8-10-14(4,5)15/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 8,8-diethoxy-2,6-dimethyloctan-2-ol?
8,8-diethoxy-2,6-dimethyloctan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-diethoxy-2,6-dimethyloctan-2-ol is sourced from PubChem (CID 5463911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).