tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane

C25H25ClOSi — CID 140845766

IUPACtert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC1=CCc2cccc(Cl)c21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25ClOSi/c1-25(2,3)28(20-12-6-4-7-13-20,21-14-8-5-9-15-21)27-23-18-17-19-11-10-16-22(26)24(19)23/h4-16,18H,17H2,1-3H3
InChIKeyLDDOECVDPWCXNJ-UHFFFAOYSA-N
MW405.01 g/mol
LogP5.81
Rot. Bonds4

About tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane

tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane (PubChem CID 140845766) has the molecular formula C25H25ClOSi and a molecular weight of 405.01 g/mol. Its IUPAC name is tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane
PubChem CID140845766
Molecular FormulaC25H25ClOSi
Molecular Weight405.01 g/mol
Exact Mass404.14
IUPAC Nametert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC1=CCc2cccc(Cl)c21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25ClOSi/c1-25(2,3)28(20-12-6-4-7-13-20,21-14-8-5-9-15-21)27-23-18-17-19-11-10-16-22(26)24(19)23/h4-16,18H,17H2,1-3H3
InChIKeyLDDOECVDPWCXNJ-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.01
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 140845769
[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate
CID 140845764
[4-[tert-butyl(diphenyl)silyl]oxyphenyl]azanium
CID 140590234
[(1R,2R)-1-[tert-butyl(diphenyl)silyl]oxy-8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 140845775
tert-butyl-(3,6-dihydro-2H-pyran-4-yloxy)-diphenylsilane
CID 101467335
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
1-(7-chloro-3H-inden-1-yl)ethanamine
CID 105447751
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
9-[tert-butyl(diphenyl)silyl]oxy-8,9-dihydro-5H-benzo[7]annulene-6-carboxylic acid
CID 70270383
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane (CID 140845766) is tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane is CC(C)(C)[Si](OC1=CCc2cccc(Cl)c21)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane?
The InChIKey is LDDOECVDPWCXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClOSi/c1-25(2,3)28(20-12-6-4-7-13-20,21-14-8-5-9-15-21)27-23-18-17-19-11-10-16-22(26)24(19)23/h4-16,18H,17H2,1-3H3.
What are the key properties of tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane?
tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane has a molecular weight of 405.01 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7-chloro-3H-inden-1-yl)oxy]-diphenylsilane is sourced from PubChem (CID 140845766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).