3-[hydroxy(dimethyl)silyl]propyl acetate

C7H16O3Si — CID 71325011

IUPAC3-[hydroxy(dimethyl)silyl]propyl acetate
SMILESCC(=O)OCCC[Si](C)(C)O
InChIInChI=1S/C7H16O3Si/c1-7(8)10-5-4-6-11(2,3)9/h9H,4-6H2,1-3H3
InChIKeyXVXBWOYCQQTGFI-UHFFFAOYSA-N
MW176.29 g/mol
LogP1.14
Rot. Bonds4

About 3-[hydroxy(dimethyl)silyl]propyl acetate

3-[hydroxy(dimethyl)silyl]propyl acetate (PubChem CID 71325011) has the molecular formula C7H16O3Si and a molecular weight of 176.29 g/mol. Its IUPAC name is 3-[hydroxy(dimethyl)silyl]propyl acetate.

Molecular Properties

Compound Name3-[hydroxy(dimethyl)silyl]propyl acetate
PubChem CID71325011
Molecular FormulaC7H16O3Si
Molecular Weight176.29 g/mol
Exact Mass176.09
IUPAC Name3-[hydroxy(dimethyl)silyl]propyl acetate
SMILESCC(=O)OCCC[Si](C)(C)O
InChIInChI=1S/C7H16O3Si/c1-7(8)10-5-4-6-11(2,3)9/h9H,4-6H2,1-3H3
InChIKeyXVXBWOYCQQTGFI-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
3-[diethyl(methyl)silyl]propyl acetate
CID 101001894
2-[hydroxy(dimethyl)silyl]ethyl 2-methylprop-2-enoate;3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 175909002
3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 139211567
11-acetyloxyundecyl acetate
CID 87784419
3-[chloro(diethoxy)silyl]propyl acetate
CID 87213804
7-trichlorosilylheptyl acetate
CID 150460177
CID 87429945
CID 87429945
CID 159701402
CID 159701402
CID 159328585
CID 159328585
3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate
CID 154103827

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(dimethyl)silyl]propyl acetate?
The IUPAC name of 3-[hydroxy(dimethyl)silyl]propyl acetate (CID 71325011) is 3-[hydroxy(dimethyl)silyl]propyl acetate.
What is the SMILES notation for 3-[hydroxy(dimethyl)silyl]propyl acetate?
The canonical SMILES for 3-[hydroxy(dimethyl)silyl]propyl acetate is CC(=O)OCCC[Si](C)(C)O.
What is the InChIKey of 3-[hydroxy(dimethyl)silyl]propyl acetate?
The InChIKey is XVXBWOYCQQTGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3Si/c1-7(8)10-5-4-6-11(2,3)9/h9H,4-6H2,1-3H3.
What are the key properties of 3-[hydroxy(dimethyl)silyl]propyl acetate?
3-[hydroxy(dimethyl)silyl]propyl acetate has a molecular weight of 176.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(dimethyl)silyl]propyl acetate is sourced from PubChem (CID 71325011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).