7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

C19H36O2Si — CID 23517391

IUPAC7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
SMILESCC[Si](CC)(CC)OCC(C)C1CCC2C(=O)CCCC21C
InChIInChI=1S/C19H36O2Si/c1-6-22(7-2,8-3)21-14-15(4)16-11-12-17-18(20)10-9-13-19(16,17)5/h15-17H,6-14H2,1-5H3
InChIKeyZNNRSADKBZRGNQ-UHFFFAOYSA-N
MW324.58 g/mol
LogP5.43
Rot. Bonds7

About 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (PubChem CID 23517391) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one.

Molecular Properties

Compound Name7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
PubChem CID23517391
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
SMILESCC[Si](CC)(CC)OCC(C)C1CCC2C(=O)CCCC21C
InChIInChI=1S/C19H36O2Si/c1-6-22(7-2,8-3)21-14-15(4)16-11-12-17-18(20)10-9-13-19(16,17)5/h15-17H,6-14H2,1-5H3
InChIKeyZNNRSADKBZRGNQ-UHFFFAOYSA-N
XLogP5.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.43
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 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
The IUPAC name of 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one (CID 23517391) is 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one.
What is the SMILES notation for 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
The canonical SMILES for 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one is CC[Si](CC)(CC)OCC(C)C1CCC2C(=O)CCCC21C.
What is the InChIKey of 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
The InChIKey is ZNNRSADKBZRGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-6-22(7-2,8-3)21-14-15(4)16-11-12-17-18(20)10-9-13-19(16,17)5/h15-17H,6-14H2,1-5H3.
What are the key properties of 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one?
7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one has a molecular weight of 324.58 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1-(1-triethylsilyloxypropan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-one is sourced from PubChem (CID 23517391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).