5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

C17H32O2Si2 — CID 14183960

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CC2=C([Si](C)(C)C)C(=O)CC2C1
InChIInChI=1S/C17H32O2Si2/c1-17(2,3)21(7,8)19-13-9-12-10-15(18)16(14(12)11-13)20(4,5)6/h12-13H,9-11H2,1-8H3
InChIKeyTVRFVGOLUSQDSJ-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.93
Rot. Bonds3

About 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (PubChem CID 14183960) has the molecular formula C17H32O2Si2 and a molecular weight of 324.61 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
PubChem CID14183960
Molecular FormulaC17H32O2Si2
Molecular Weight324.61 g/mol
Exact Mass324.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CC2=C([Si](C)(C)C)C(=O)CC2C1
InChIInChI=1S/C17H32O2Si2/c1-17(2,3)21(7,8)19-13-9-12-10-15(18)16(14(12)11-13)20(4,5)6/h12-13H,9-11H2,1-8H3
InChIKeyTVRFVGOLUSQDSJ-UHFFFAOYSA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (CID 14183960) is 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is CC(C)(C)[Si](C)(C)OC1CC2=C([Si](C)(C)C)C(=O)CC2C1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The InChIKey is TVRFVGOLUSQDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si2/c1-17(2,3)21(7,8)19-13-9-12-10-15(18)16(14(12)11-13)20(4,5)6/h12-13H,9-11H2,1-8H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one has a molecular weight of 324.61 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is sourced from PubChem (CID 14183960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).