tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane

C22H27ClOSi — CID 56646883

IUPACtert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane
SMILESC=C1c2ccccc2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClOSi/c1-15-18-9-7-8-10-19(18)21(24-25(5,6)22(2,3)4)20(15)16-11-13-17(23)14-12-16/h7-14,20-21H,1H2,2-6H3/t20-,21+/m1/s1
InChIKeyPWMSLNNIORJCQJ-RTWAWAEBSA-N
MW371.00 g/mol
LogP7.21
Rot. Bonds3

About tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane

tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane (PubChem CID 56646883) has the molecular formula C22H27ClOSi and a molecular weight of 371.00 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane
PubChem CID56646883
Molecular FormulaC22H27ClOSi
Molecular Weight371.00 g/mol
Exact Mass370.15
IUPAC Nametert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane
SMILESC=C1c2ccccc2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClOSi/c1-15-18-9-7-8-10-19(18)21(24-25(5,6)22(2,3)4)20(15)16-11-13-17(23)14-12-16/h7-14,20-21H,1H2,2-6H3/t20-,21+/m1/s1
InChIKeyPWMSLNNIORJCQJ-RTWAWAEBSA-N
XLogP7.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.00
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane (CID 56646883) is tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane is C=C1c2ccccc2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane?
The InChIKey is PWMSLNNIORJCQJ-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H27ClOSi/c1-15-18-9-7-8-10-19(18)21(24-25(5,6)22(2,3)4)20(15)16-11-13-17(23)14-12-16/h7-14,20-21H,1H2,2-6H3/t20-,21+/m1/s1.
What are the key properties of tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane?
tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane has a molecular weight of 371.00 g/mol, XLogP of 7.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,2S)-2-(4-chlorophenyl)-3-methylidene-1,2-dihydroinden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 56646883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).