5-trihydroxysilylpentan-2-yl acetate

C7H16O5Si — CID 90797840

IUPAC5-trihydroxysilylpentan-2-yl acetate
SMILESCC(=O)OC(C)CCC[Si](O)(O)O
InChIInChI=1S/C7H16O5Si/c1-6(12-7(2)8)4-3-5-13(9,10)11/h6,9-11H,3-5H2,1-2H3
InChIKeyBWYNCLBQJXOXRA-UHFFFAOYSA-N
MW208.29 g/mol
LogP-0.37
Rot. Bonds5

About 5-trihydroxysilylpentan-2-yl acetate

5-trihydroxysilylpentan-2-yl acetate (PubChem CID 90797840) has the molecular formula C7H16O5Si and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-trihydroxysilylpentan-2-yl acetate.

Molecular Properties

Compound Name5-trihydroxysilylpentan-2-yl acetate
PubChem CID90797840
Molecular FormulaC7H16O5Si
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name5-trihydroxysilylpentan-2-yl acetate
SMILESCC(=O)OC(C)CCC[Si](O)(O)O
InChIInChI=1S/C7H16O5Si/c1-6(12-7(2)8)4-3-5-13(9,10)11/h6,9-11H,3-5H2,1-2H3
InChIKeyBWYNCLBQJXOXRA-UHFFFAOYSA-N
XLogP-0.37
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
6-hydroxyhexan-2-yl acetate
CID 15812148
hexan-2-yl acetate;methane
CID 159910641
[(2R)-6-bromohexan-2-yl] acetate
CID 12619445
(5R)-5-acetyloxyhexanoic acid
CID 87649956
pentacosan-2-yl acetate
CID 173416941
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
7-acetyloxyoctanoic acid
CID 14119881
azane;pentan-2-yl acetate
CID 174372937
[(2R)-12-oxododecan-2-yl] acetate
CID 102367359
[(2S)-8-oxooctan-2-yl] acetate
CID 72946999
4-acetyloxypentanoic acid
CID 14737198

Frequently Asked Questions

What is the IUPAC name of 5-trihydroxysilylpentan-2-yl acetate?
The IUPAC name of 5-trihydroxysilylpentan-2-yl acetate (CID 90797840) is 5-trihydroxysilylpentan-2-yl acetate.
What is the SMILES notation for 5-trihydroxysilylpentan-2-yl acetate?
The canonical SMILES for 5-trihydroxysilylpentan-2-yl acetate is CC(=O)OC(C)CCC[Si](O)(O)O.
What is the InChIKey of 5-trihydroxysilylpentan-2-yl acetate?
The InChIKey is BWYNCLBQJXOXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5Si/c1-6(12-7(2)8)4-3-5-13(9,10)11/h6,9-11H,3-5H2,1-2H3.
What are the key properties of 5-trihydroxysilylpentan-2-yl acetate?
5-trihydroxysilylpentan-2-yl acetate has a molecular weight of 208.29 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trihydroxysilylpentan-2-yl acetate is sourced from PubChem (CID 90797840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).