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

C17H32GeO2Si — CID 135006289

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC2CC(=O)C([Ge](C)(C)C)=C21
InChIInChI=1S/C17H32GeO2Si/c1-17(2,3)21(7,8)20-14-10-9-12-11-13(19)16(15(12)14)18(4,5)6/h12,14H,9-11H2,1-8H3
InChIKeyMVKIBFIOHVRPFV-UHFFFAOYSA-N
MW369.14 g/mol
LogP4.93
Rot. Bonds3

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

4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (PubChem CID 135006289) has the molecular formula C17H32GeO2Si and a molecular weight of 369.14 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
PubChem CID135006289
Molecular FormulaC17H32GeO2Si
Molecular Weight369.14 g/mol
Exact Mass370.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC2CC(=O)C([Ge](C)(C)C)=C21
InChIInChI=1S/C17H32GeO2Si/c1-17(2,3)21(7,8)20-14-10-9-12-11-13(19)16(15(12)14)18(4,5)6/h12,14H,9-11H2,1-8H3
InChIKeyMVKIBFIOHVRPFV-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 ≤ 500369.14
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 4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one (CID 135006289) is 4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is CC(C)(C)[Si](C)(C)OC1CCC2CC(=O)C([Ge](C)(C)C)=C21.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
The InChIKey is MVKIBFIOHVRPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32GeO2Si/c1-17(2,3)21(7,8)20-14-10-9-12-11-13(19)16(15(12)14)18(4,5)6/h12,14H,9-11H2,1-8H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one?
4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one has a molecular weight of 369.14 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 4-[tert-butyl(dimethyl)silyl]oxy-3-trimethylgermyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one is sourced from PubChem (CID 135006289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).