4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol

C9H22O3Si — CID 59372664

IUPAC4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)O[Si](C)(C)O
InChIInChI=1S/C9H22O3Si/c1-8(2,10)7-9(3,4)12-13(5,6)11/h10-11H,7H2,1-6H3
InChIKeyVTXRNHMUNIWMBH-UHFFFAOYSA-N
MW206.36 g/mol
LogP1.64
Rot. Bonds4

About 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol

4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol (PubChem CID 59372664) has the molecular formula C9H22O3Si and a molecular weight of 206.36 g/mol. Its IUPAC name is 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol
PubChem CID59372664
Molecular FormulaC9H22O3Si
Molecular Weight206.36 g/mol
Exact Mass206.13
IUPAC Name4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)O[Si](C)(C)O
InChIInChI=1S/C9H22O3Si/c1-8(2,10)7-9(3,4)12-13(5,6)11/h10-11H,7H2,1-6H3
InChIKeyVTXRNHMUNIWMBH-UHFFFAOYSA-N
XLogP1.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol (CID 59372664) is 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol is CC(C)(O)CC(C)(C)O[Si](C)(C)O.
What is the InChIKey of 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol?
The InChIKey is VTXRNHMUNIWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si/c1-8(2,10)7-9(3,4)12-13(5,6)11/h10-11H,7H2,1-6H3.
What are the key properties of 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol?
4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol has a molecular weight of 206.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(dimethyl)silyl]oxy-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 59372664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).