2-dimethylsilyloxy-3,3-dimethylbutan-1-ol

C8H20O2Si — CID 173254028

IUPAC2-dimethylsilyloxy-3,3-dimethylbutan-1-ol
SMILESC[SiH](C)OC(CO)C(C)(C)C
InChIInChI=1S/C8H20O2Si/c1-8(2,3)7(6-9)10-11(4)5/h7,9,11H,6H2,1-5H3
InChIKeyRMNJYLOELUDDPX-UHFFFAOYSA-N
MW176.33 g/mol
LogP1.39
Rot. Bonds3

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

2-dimethylsilyloxy-3,3-dimethylbutan-1-ol (PubChem CID 173254028) has the molecular formula C8H20O2Si and a molecular weight of 176.33 g/mol. Its IUPAC name is 2-dimethylsilyloxy-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-dimethylsilyloxy-3,3-dimethylbutan-1-ol
PubChem CID173254028
Molecular FormulaC8H20O2Si
Molecular Weight176.33 g/mol
Exact Mass176.12
IUPAC Name2-dimethylsilyloxy-3,3-dimethylbutan-1-ol
SMILESC[SiH](C)OC(CO)C(C)(C)C
InChIInChI=1S/C8H20O2Si/c1-8(2,3)7(6-9)10-11(4)5/h7,9,11H,6H2,1-5H3
InChIKeyRMNJYLOELUDDPX-UHFFFAOYSA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyloxy-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-dimethylsilyloxy-3,3-dimethylbutan-1-ol (CID 173254028) is 2-dimethylsilyloxy-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-dimethylsilyloxy-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-dimethylsilyloxy-3,3-dimethylbutan-1-ol is C[SiH](C)OC(CO)C(C)(C)C.
What is the InChIKey of 2-dimethylsilyloxy-3,3-dimethylbutan-1-ol?
The InChIKey is RMNJYLOELUDDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O2Si/c1-8(2,3)7(6-9)10-11(4)5/h7,9,11H,6H2,1-5H3.
What are the key properties of 2-dimethylsilyloxy-3,3-dimethylbutan-1-ol?
2-dimethylsilyloxy-3,3-dimethylbutan-1-ol has a molecular weight of 176.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyloxy-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 173254028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).