1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone

C16H30O5Si2 — CID 134837995

IUPAC1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone
SMILESCC(=O)C1CC2(C)OC(O[Si](C)(C)C)=C(C)OC12O[Si](C)(C)C
InChIInChI=1S/C16H30O5Si2/c1-11(17)13-10-15(3)16(13,21-23(7,8)9)18-12(2)14(19-15)20-22(4,5)6/h13H,10H2,1-9H3
InChIKeyVENOINBJFGFLMF-UHFFFAOYSA-N
MW358.58 g/mol
LogP3.99
Rot. Bonds5

About 1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone

1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone (PubChem CID 134837995) has the molecular formula C16H30O5Si2 and a molecular weight of 358.58 g/mol. Its IUPAC name is 1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone.

Molecular Properties

Compound Name1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone
PubChem CID134837995
Molecular FormulaC16H30O5Si2
Molecular Weight358.58 g/mol
Exact Mass358.16
IUPAC Name1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone
SMILESCC(=O)C1CC2(C)OC(O[Si](C)(C)C)=C(C)OC12O[Si](C)(C)C
InChIInChI=1S/C16H30O5Si2/c1-11(17)13-10-15(3)16(13,21-23(7,8)9)18-12(2)14(19-15)20-22(4,5)6/h13H,10H2,1-9H3
InChIKeyVENOINBJFGFLMF-UHFFFAOYSA-N
XLogP3.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.58
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone?
The IUPAC name of 1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone (CID 134837995) is 1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone.
What is the SMILES notation for 1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone?
The canonical SMILES for 1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone is CC(=O)C1CC2(C)OC(O[Si](C)(C)C)=C(C)OC12O[Si](C)(C)C.
What is the InChIKey of 1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone?
The InChIKey is VENOINBJFGFLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5Si2/c1-11(17)13-10-15(3)16(13,21-23(7,8)9)18-12(2)14(19-15)20-22(4,5)6/h13H,10H2,1-9H3.
What are the key properties of 1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone?
1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone has a molecular weight of 358.58 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-dimethyl-3,6-bis(trimethylsilyloxy)-2,5-dioxabicyclo[4.2.0]oct-3-en-7-yl]ethanone is sourced from PubChem (CID 134837995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).