(1-acetyloxy-1-methylsilinan-2-yl) acetate

C10H18O4Si — CID 174470936

IUPAC(1-acetyloxy-1-methylsilinan-2-yl) acetate
SMILESCC(=O)OC1CCCC[Si]1(C)OC(C)=O
InChIInChI=1S/C10H18O4Si/c1-8(11)13-10-6-4-5-7-15(10,3)14-9(2)12/h10H,4-7H2,1-3H3
InChIKeyJJQWOYDQZMCPAK-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.78
Rot. Bonds2

About (1-acetyloxy-1-methylsilinan-2-yl) acetate

(1-acetyloxy-1-methylsilinan-2-yl) acetate (PubChem CID 174470936) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is (1-acetyloxy-1-methylsilinan-2-yl) acetate.

Molecular Properties

Compound Name(1-acetyloxy-1-methylsilinan-2-yl) acetate
PubChem CID174470936
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Name(1-acetyloxy-1-methylsilinan-2-yl) acetate
SMILESCC(=O)OC1CCCC[Si]1(C)OC(C)=O
InChIInChI=1S/C10H18O4Si/c1-8(11)13-10-6-4-5-7-15(10,3)14-9(2)12/h10H,4-7H2,1-3H3
InChIKeyJJQWOYDQZMCPAK-UHFFFAOYSA-N
XLogP1.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1-acetyloxy-1-methylsilinan-2-yl) acetate?
The IUPAC name of (1-acetyloxy-1-methylsilinan-2-yl) acetate (CID 174470936) is (1-acetyloxy-1-methylsilinan-2-yl) acetate.
What is the SMILES notation for (1-acetyloxy-1-methylsilinan-2-yl) acetate?
The canonical SMILES for (1-acetyloxy-1-methylsilinan-2-yl) acetate is CC(=O)OC1CCCC[Si]1(C)OC(C)=O.
What is the InChIKey of (1-acetyloxy-1-methylsilinan-2-yl) acetate?
The InChIKey is JJQWOYDQZMCPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-8(11)13-10-6-4-5-7-15(10,3)14-9(2)12/h10H,4-7H2,1-3H3.
What are the key properties of (1-acetyloxy-1-methylsilinan-2-yl) acetate?
(1-acetyloxy-1-methylsilinan-2-yl) acetate has a molecular weight of 230.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-1-methylsilinan-2-yl) acetate is sourced from PubChem (CID 174470936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).