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

C23H46GeO2Si2 — CID 135007293

IUPAC5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
SMILESCC(C)(C)[Si](C)(C)OC1C2=C([Ge](C)(C)C)C(=O)CC2CC1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46GeO2Si2/c1-22(2,3)27(10,11)18-15-16-14-17(25)20(24(7,8)9)19(16)21(18)26-28(12,13)23(4,5)6/h16,18,21H,14-15H2,1-13H3
InChIKeyAUGQMCORHUFBNY-UHFFFAOYSA-N
MW483.40 g/mol
LogP7.42
Rot. Bonds4

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

5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (PubChem CID 135007293) has the molecular formula C23H46GeO2Si2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
PubChem CID135007293
Molecular FormulaC23H46GeO2Si2
Molecular Weight483.40 g/mol
Exact Mass484.22
IUPAC Name5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
SMILESCC(C)(C)[Si](C)(C)OC1C2=C([Ge](C)(C)C)C(=O)CC2CC1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46GeO2Si2/c1-22(2,3)27(10,11)18-15-16-14-17(25)20(24(7,8)9)19(16)21(18)26-28(12,13)23(4,5)6/h16,18,21H,14-15H2,1-13H3
InChIKeyAUGQMCORHUFBNY-UHFFFAOYSA-N
XLogP7.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 57.42
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]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (CID 135007293) is 5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is CC(C)(C)[Si](C)(C)OC1C2=C([Ge](C)(C)C)C(=O)CC2CC1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The InChIKey is AUGQMCORHUFBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46GeO2Si2/c1-22(2,3)27(10,11)18-15-16-14-17(25)20(24(7,8)9)19(16)21(18)26-28(12,13)23(4,5)6/h16,18,21H,14-15H2,1-13H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
5-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one has a molecular weight of 483.40 g/mol, XLogP of 7.42, 4 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]-4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is sourced from PubChem (CID 135007293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).