5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one

C17H30O2Si — CID 10902496

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one
SMILESCC1(C)CC2CC(=O)C=C2CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-16(2,3)20(6,7)19-15-10-12-8-14(18)9-13(12)11-17(15,4)5/h8,13,15H,9-11H2,1-7H3
InChIKeyPJVVPPLGSFGXPV-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.71
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one

5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one (PubChem CID 10902496) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one
PubChem CID10902496
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one
SMILESCC1(C)CC2CC(=O)C=C2CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-16(2,3)20(6,7)19-15-10-12-8-14(18)9-13(12)11-17(15,4)5/h8,13,15H,9-11H2,1-7H3
InChIKeyPJVVPPLGSFGXPV-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.71
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-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one (CID 10902496) is 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one is CC1(C)CC2CC(=O)C=C2CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one?
The InChIKey is PJVVPPLGSFGXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-16(2,3)20(6,7)19-15-10-12-8-14(18)9-13(12)11-17(15,4)5/h8,13,15H,9-11H2,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one?
5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one has a molecular weight of 294.51 g/mol, XLogP of 4.71, 2 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-6,6-dimethyl-4,5,7,7a-tetrahydro-1H-inden-2-one is sourced from PubChem (CID 10902496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).