2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine

C10H20O2Si — CID 12793734

IUPAC2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine
SMILESCC(C)[Si]1(C(C)C)OCC=CCO1
InChIInChI=1S/C10H20O2Si/c1-9(2)13(10(3)4)11-7-5-6-8-12-13/h5-6,9-10H,7-8H2,1-4H3
InChIKeyJQQSYDRVWHGLSZ-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.85
Rot. Bonds2

About 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine

2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine (PubChem CID 12793734) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine.

Molecular Properties

Compound Name2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine
PubChem CID12793734
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine
SMILESCC(C)[Si]1(C(C)C)OCC=CCO1
InChIInChI=1S/C10H20O2Si/c1-9(2)13(10(3)4)11-7-5-6-8-12-13/h5-6,9-10H,7-8H2,1-4H3
InChIKeyJQQSYDRVWHGLSZ-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine?
The IUPAC name of 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine (CID 12793734) is 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine.
What is the SMILES notation for 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine?
The canonical SMILES for 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine is CC(C)[Si]1(C(C)C)OCC=CCO1.
What is the InChIKey of 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine?
The InChIKey is JQQSYDRVWHGLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-9(2)13(10(3)4)11-7-5-6-8-12-13/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine?
2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine has a molecular weight of 200.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)-4,7-dihydro-1,3,2-dioxasilepine is sourced from PubChem (CID 12793734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).