2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one

C9H16O4Si — CID 69047443

IUPAC2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(O[Si](C)(C)C)O1
InChIInChI=1S/C9H16O4Si/c1-9(2)11-7(10)6-8(12-9)13-14(3,4)5/h6H,1-5H3
InChIKeyKBGHNRQIEZZSCS-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.99
Rot. Bonds2

About 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one

2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one (PubChem CID 69047443) has the molecular formula C9H16O4Si and a molecular weight of 216.31 g/mol. Its IUPAC name is 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one
PubChem CID69047443
Molecular FormulaC9H16O4Si
Molecular Weight216.31 g/mol
Exact Mass216.08
IUPAC Name2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(O[Si](C)(C)C)O1
InChIInChI=1S/C9H16O4Si/c1-9(2)11-7(10)6-8(12-9)13-14(3,4)5/h6H,1-5H3
InChIKeyKBGHNRQIEZZSCS-UHFFFAOYSA-N
XLogP1.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.99
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 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one?
The IUPAC name of 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one (CID 69047443) is 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one.
What is the SMILES notation for 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one?
The canonical SMILES for 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(O[Si](C)(C)C)O1.
What is the InChIKey of 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one?
The InChIKey is KBGHNRQIEZZSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4Si/c1-9(2)11-7(10)6-8(12-9)13-14(3,4)5/h6H,1-5H3.
What are the key properties of 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one?
2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one has a molecular weight of 216.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-trimethylsilyloxy-1,3-dioxin-4-one is sourced from PubChem (CID 69047443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).