7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one

C21H32O3Si — CID 162271568

IUPAC7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one
SMILESC[SiH](C)COC1=CC2C(=O)OC3=C4CCCC4(C)CCC3C2(C)CC1
InChIInChI=1S/C21H32O3Si/c1-20-9-5-6-15(20)18-16(8-10-20)21(2)11-7-14(23-13-25(3)4)12-17(21)19(22)24-18/h12,16-17,25H,5-11,13H2,1-4H3
InChIKeyOROUYWFWMAPKLO-UHFFFAOYSA-N
MW360.57 g/mol
LogP4.74
Rot. Bonds3

About 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one

7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one (PubChem CID 162271568) has the molecular formula C21H32O3Si and a molecular weight of 360.57 g/mol. Its IUPAC name is 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one.

Molecular Properties

Compound Name7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one
PubChem CID162271568
Molecular FormulaC21H32O3Si
Molecular Weight360.57 g/mol
Exact Mass360.21
IUPAC Name7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one
SMILESC[SiH](C)COC1=CC2C(=O)OC3=C4CCCC4(C)CCC3C2(C)CC1
InChIInChI=1S/C21H32O3Si/c1-20-9-5-6-15(20)18-16(8-10-20)21(2)11-7-14(23-13-25(3)4)12-17(21)19(22)24-18/h12,16-17,25H,5-11,13H2,1-4H3
InChIKeyOROUYWFWMAPKLO-UHFFFAOYSA-N
XLogP4.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one?
The IUPAC name of 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one (CID 162271568) is 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one.
What is the SMILES notation for 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one?
The canonical SMILES for 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one is C[SiH](C)COC1=CC2C(=O)OC3=C4CCCC4(C)CCC3C2(C)CC1.
What is the InChIKey of 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one?
The InChIKey is OROUYWFWMAPKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O3Si/c1-20-9-5-6-15(20)18-16(8-10-20)21(2)11-7-14(23-13-25(3)4)12-17(21)19(22)24-18/h12,16-17,25H,5-11,13H2,1-4H3.
What are the key properties of 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one?
7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one has a molecular weight of 360.57 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylsilylmethoxy)-9a,11a-dimethyl-2,3,5a,8,9,9b,10,11-octahydro-1H-indeno[4,5-c]isochromen-5-one is sourced from PubChem (CID 162271568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).