benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane

C29H44OSi2 — CID 135067079

IUPACbenzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCCc2cc([Si](C)(C)Cc3ccccc3)c3c(c21)CCC3
InChIInChI=1S/C29H44OSi2/c1-29(2,3)32(6,7)30-26-19-12-11-16-23-20-27(24-17-13-18-25(24)28(23)26)31(4,5)21-22-14-9-8-10-15-22/h8-10,14-15,20,26H,11-13,16-19,21H2,1-7H3
InChIKeyCCQVJGOHAKPLCZ-UHFFFAOYSA-N
MW464.84 g/mol
LogP7.66
Rot. Bonds5

About benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane

benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane (PubChem CID 135067079) has the molecular formula C29H44OSi2 and a molecular weight of 464.84 g/mol. Its IUPAC name is benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane.

Molecular Properties

Compound Namebenzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane
PubChem CID135067079
Molecular FormulaC29H44OSi2
Molecular Weight464.84 g/mol
Exact Mass464.29
IUPAC Namebenzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCCCc2cc([Si](C)(C)Cc3ccccc3)c3c(c21)CCC3
InChIInChI=1S/C29H44OSi2/c1-29(2,3)32(6,7)30-26-19-12-11-16-23-20-27(24-17-13-18-25(24)28(23)26)31(4,5)21-22-14-9-8-10-15-22/h8-10,14-15,20,26H,11-13,16-19,21H2,1-7H3
InChIKeyCCQVJGOHAKPLCZ-UHFFFAOYSA-N
XLogP7.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.84
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane 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

1,1-Bis(3-t-butyldimethylsilyloxymethylphenyl)ethylene
CID 66821955
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
Tert-butyl-[1-[7-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-9,9-difluorofluoren-2-yl]ethenoxy]-dimethylsilane
CID 89405915
tert-butyl-[[(1S)-4-(fluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 144390334
Tert-butyl-dimethyl-[1-[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]propoxy]silane
CID 150223744
tert-butyl-[(E)-1-(9,9-difluorofluoren-2-yl)prop-1-enoxy]-dimethylsilane
CID 171484191
tert-butyl-dimethyl-[[(8Z)-2-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,8,10(14),11,15-heptaenyl]oxy]silane
CID 10871421
tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)pent-3-enoxy]-dimethylsilane
CID 11201083
5-Butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole
CID 11260447
dimethyl-[(Z)-5-(4-methylphenyl)-5-triethylsilyloxypent-2-enyl]-phenylsilane
CID 11362290
Triethyl-[1-(2,4,6-trimethylphenyl)ethoxy]silane
CID 12172065
trimethyl-[(1R)-1-(4-methylnaphthalen-1-yl)ethoxy]silane
CID 14939170

Frequently Asked Questions

What is the IUPAC name of benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane?
The IUPAC name of benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane (CID 135067079) is benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane.
What is the SMILES notation for benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane?
The canonical SMILES for benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCCCc2cc([Si](C)(C)Cc3ccccc3)c3c(c21)CCC3.
What is the InChIKey of benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane?
The InChIKey is CCQVJGOHAKPLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44OSi2/c1-29(2,3)32(6,7)30-26-19-12-11-16-23-20-27(24-17-13-18-25(24)28(23)26)31(4,5)21-22-14-9-8-10-15-22/h8-10,14-15,20,26H,11-13,16-19,21H2,1-7H3.
What are the key properties of benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane?
benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane has a molecular weight of 464.84 g/mol, XLogP of 7.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane is sourced from PubChem (CID 135067079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).