1,1-dimethoxy-2-methylpropan-2-ol

C6H14O3 — CID 12500499

IUPAC1,1-dimethoxy-2-methylpropan-2-ol
SMILESCOC(OC)C(C)(C)O
InChIInChI=1S/C6H14O3/c1-6(2,7)5(8-3)9-4/h5,7H,1-4H3
InChIKeyALOQXNPKUXJYQG-UHFFFAOYSA-N
MW134.17 g/mol
LogP0.38
Rot. Bonds3

About 1,1-dimethoxy-2-methylpropan-2-ol

1,1-dimethoxy-2-methylpropan-2-ol (PubChem CID 12500499) has the molecular formula C6H14O3 and a molecular weight of 134.17 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-methylpropan-2-ol
PubChem CID12500499
Molecular FormulaC6H14O3
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name1,1-dimethoxy-2-methylpropan-2-ol
SMILESCOC(OC)C(C)(C)O
InChIInChI=1S/C6H14O3/c1-6(2,7)5(8-3)9-4/h5,7H,1-4H3
InChIKeyALOQXNPKUXJYQG-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 50.38
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 1,1-dimethoxy-2-methylpropan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-methylpropan-2-ol (CID 12500499) is 1,1-dimethoxy-2-methylpropan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-methylpropan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-methylpropan-2-ol is COC(OC)C(C)(C)O.
What is the InChIKey of 1,1-dimethoxy-2-methylpropan-2-ol?
The InChIKey is ALOQXNPKUXJYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-6(2,7)5(8-3)9-4/h5,7H,1-4H3.
What are the key properties of 1,1-dimethoxy-2-methylpropan-2-ol?
1,1-dimethoxy-2-methylpropan-2-ol has a molecular weight of 134.17 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methylpropan-2-ol is sourced from PubChem (CID 12500499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).