(1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one

C13H22O2Si — CID 15699653

IUPAC(1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-13-8-7-11(14)9-10(13)5-6-12(13)15-16(2,3)4/h9,12H,5-8H2,1-4H3/t12-,13-/m0/s1
InChIKeyRVUMLWCMWVDITB-STQMWFEESA-N
MW238.40 g/mol
LogP3.30
Rot. Bonds2

About (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one

(1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one (PubChem CID 15699653) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one.

Molecular Properties

Compound Name(1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one
PubChem CID15699653
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]2O[Si](C)(C)C
InChIInChI=1S/C13H22O2Si/c1-13-8-7-11(14)9-10(13)5-6-12(13)15-16(2,3)4/h9,12H,5-8H2,1-4H3/t12-,13-/m0/s1
InChIKeyRVUMLWCMWVDITB-STQMWFEESA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

rel-(1R,7aR)-1-(1,1-Dimethylethoxy)-1,2,3,6,7,7a-hexahydro-7a-methyl-5H-inden-5-one
CID 11127889
(1S,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 11543713
(1R,7aR)-1-Hydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one
CID 13033865
1-Hydroxy-7a-methyl-1,2,3,6,7,7a-hexahydro-inden-5-one
CID 13033868
(1S,7aS)-1-(methoxymethoxy)-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 42605198
5H-Inden-5-one,1-dimethylethoxy)-1,2,3,6,7,7a-hexahydro-7a-methyl-, trans-
CID 317810
1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 13033864
(7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl) acetate
CID 13033871
[(1S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] formate
CID 9990208
(1R,7aS)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 13033870
(1S,7aS)-1-(tert-butoxy)-4-{3-[(tert-butyldimethylsilyl)oxy]propyl}-7a-methyl-2,3,5,6,7,7a-hexahydro-1H-inden-5-one
CID 14865508
(1S,7aS)-1-methoxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 14945505

Frequently Asked Questions

What is the IUPAC name of (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one?
The IUPAC name of (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one (CID 15699653) is (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one.
What is the SMILES notation for (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one?
The canonical SMILES for (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one is C[C@]12CCC(=O)C=C1CC[C@@H]2O[Si](C)(C)C.
What is the InChIKey of (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one?
The InChIKey is RVUMLWCMWVDITB-STQMWFEESA-N. The full InChI is InChI=1S/C13H22O2Si/c1-13-8-7-11(14)9-10(13)5-6-12(13)15-16(2,3)4/h9,12H,5-8H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one?
(1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one has a molecular weight of 238.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7aS)-7a-methyl-1-trimethylsilyloxy-2,3,6,7-tetrahydro-1H-inden-5-one is sourced from PubChem (CID 15699653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).