11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one

C22H30O3Si — CID 14655750

IUPAC11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one
SMILESCC(C)(C)[Si](C)(C)OC1=C2CCCC2C2C(=O)Oc3ccccc3C2C1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(4,5)25-19-13-17-15-9-6-7-12-18(15)24-21(23)20(17)16-11-8-10-14(16)19/h6-7,9,12,16-17,20H,8,10-11,13H2,1-5H3
InChIKeyZUGIVQDTQXIERC-UHFFFAOYSA-N
MW370.57 g/mol
LogP5.79
Rot. Bonds2

About 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one

11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one (PubChem CID 14655750) has the molecular formula C22H30O3Si and a molecular weight of 370.57 g/mol. Its IUPAC name is 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one.

Molecular Properties

Compound Name11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one
PubChem CID14655750
Molecular FormulaC22H30O3Si
Molecular Weight370.57 g/mol
Exact Mass370.20
IUPAC Name11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one
SMILESCC(C)(C)[Si](C)(C)OC1=C2CCCC2C2C(=O)Oc3ccccc3C2C1
InChIInChI=1S/C22H30O3Si/c1-22(2,3)26(4,5)25-19-13-17-15-9-6-7-12-18(15)24-21(23)20(17)16-11-8-10-14(16)19/h6-7,9,12,16-17,20H,8,10-11,13H2,1-5H3
InChIKeyZUGIVQDTQXIERC-UHFFFAOYSA-N
XLogP5.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one?
The IUPAC name of 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one (CID 14655750) is 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one.
What is the SMILES notation for 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one?
The canonical SMILES for 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one is CC(C)(C)[Si](C)(C)OC1=C2CCCC2C2C(=O)Oc3ccccc3C2C1.
What is the InChIKey of 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one?
The InChIKey is ZUGIVQDTQXIERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-22(2,3)26(4,5)25-19-13-17-15-9-6-7-12-18(15)24-21(23)20(17)16-11-8-10-14(16)19/h6-7,9,12,16-17,20H,8,10-11,13H2,1-5H3.
What are the key properties of 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one?
11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one has a molecular weight of 370.57 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,3b,9b,10-hexahydro-1H-indeno[4,5-c]chromen-4-one is sourced from PubChem (CID 14655750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).