1,1-dimethoxy-2,3-dimethylbutan-2-ol

C8H18O3 — CID 66036948

IUPAC1,1-dimethoxy-2,3-dimethylbutan-2-ol
SMILESCOC(OC)C(C)(O)C(C)C
InChIInChI=1S/C8H18O3/c1-6(2)8(3,9)7(10-4)11-5/h6-7,9H,1-5H3
InChIKeyKNRURCBWBVCBDB-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.01
Rot. Bonds4

About 1,1-dimethoxy-2,3-dimethylbutan-2-ol

1,1-dimethoxy-2,3-dimethylbutan-2-ol (PubChem CID 66036948) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,1-dimethoxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2,3-dimethylbutan-2-ol
PubChem CID66036948
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name1,1-dimethoxy-2,3-dimethylbutan-2-ol
SMILESCOC(OC)C(C)(O)C(C)C
InChIInChI=1S/C8H18O3/c1-6(2)8(3,9)7(10-4)11-5/h6-7,9H,1-5H3
InChIKeyKNRURCBWBVCBDB-UHFFFAOYSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.01
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 1,1-dimethoxy-2,3-dimethylbutan-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 1,1-dimethoxy-2,3-dimethylbutan-2-ol?
The IUPAC name of 1,1-dimethoxy-2,3-dimethylbutan-2-ol (CID 66036948) is 1,1-dimethoxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2,3-dimethylbutan-2-ol is COC(OC)C(C)(O)C(C)C.
What is the InChIKey of 1,1-dimethoxy-2,3-dimethylbutan-2-ol?
The InChIKey is KNRURCBWBVCBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-6(2)8(3,9)7(10-4)11-5/h6-7,9H,1-5H3.
What are the key properties of 1,1-dimethoxy-2,3-dimethylbutan-2-ol?
1,1-dimethoxy-2,3-dimethylbutan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 66036948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).