3-dimethylsilyl-2,2-dimethylpentan-3-ol

C9H22OSi — CID 173072717

IUPAC3-dimethylsilyl-2,2-dimethylpentan-3-ol
SMILESCCC(O)([SiH](C)C)C(C)(C)C
InChIInChI=1S/C9H22OSi/c1-7-9(10,11(5)6)8(2,3)4/h10-11H,7H2,1-6H3
InChIKeyUDRSVSDNBYKZKJ-UHFFFAOYSA-N
MW174.36 g/mol
LogP2.20
Rot. Bonds2

About 3-dimethylsilyl-2,2-dimethylpentan-3-ol

3-dimethylsilyl-2,2-dimethylpentan-3-ol (PubChem CID 173072717) has the molecular formula C9H22OSi and a molecular weight of 174.36 g/mol. Its IUPAC name is 3-dimethylsilyl-2,2-dimethylpentan-3-ol.

Molecular Properties

Compound Name3-dimethylsilyl-2,2-dimethylpentan-3-ol
PubChem CID173072717
Molecular FormulaC9H22OSi
Molecular Weight174.36 g/mol
Exact Mass174.14
IUPAC Name3-dimethylsilyl-2,2-dimethylpentan-3-ol
SMILESCCC(O)([SiH](C)C)C(C)(C)C
InChIInChI=1S/C9H22OSi/c1-7-9(10,11(5)6)8(2,3)4/h10-11H,7H2,1-6H3
InChIKeyUDRSVSDNBYKZKJ-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-dimethylsilyl-2,2-dimethylpentan-3-ol?
The IUPAC name of 3-dimethylsilyl-2,2-dimethylpentan-3-ol (CID 173072717) is 3-dimethylsilyl-2,2-dimethylpentan-3-ol.
What is the SMILES notation for 3-dimethylsilyl-2,2-dimethylpentan-3-ol?
The canonical SMILES for 3-dimethylsilyl-2,2-dimethylpentan-3-ol is CCC(O)([SiH](C)C)C(C)(C)C.
What is the InChIKey of 3-dimethylsilyl-2,2-dimethylpentan-3-ol?
The InChIKey is UDRSVSDNBYKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi/c1-7-9(10,11(5)6)8(2,3)4/h10-11H,7H2,1-6H3.
What are the key properties of 3-dimethylsilyl-2,2-dimethylpentan-3-ol?
3-dimethylsilyl-2,2-dimethylpentan-3-ol has a molecular weight of 174.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylsilyl-2,2-dimethylpentan-3-ol is sourced from PubChem (CID 173072717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).