tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane

C49H70OSi2 — CID 68580534

IUPACtert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane
SMILESCC(C)C(CCC(C)C1(C)CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C49H70OSi2/c1-38(2)45(51(46(4,5)6,41-25-17-13-18-26-41)42-27-19-14-20-28-42)34-33-39(3)49(12)36-35-40(48(49,10)11)37-50-52(47(7,8)9,43-29-21-15-22-30-43)44-31-23-16-24-32-44/h13-32,38-40,45H,33-37H2,1-12H3
InChIKeyXWYPIAXRFPTQIU-UHFFFAOYSA-N
MW731.27 g/mol
LogP11.51
Rot. Bonds13

About tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane

tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane (PubChem CID 68580534) has the molecular formula C49H70OSi2 and a molecular weight of 731.27 g/mol. Its IUPAC name is tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane
PubChem CID68580534
Molecular FormulaC49H70OSi2
Molecular Weight731.27 g/mol
Exact Mass730.50
IUPAC Nametert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane
SMILESCC(C)C(CCC(C)C1(C)CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C49H70OSi2/c1-38(2)45(51(46(4,5)6,41-25-17-13-18-26-41)42-27-19-14-20-28-42)34-33-39(3)49(12)36-35-40(48(49,10)11)37-50-52(47(7,8)9,43-29-21-15-22-30-43)44-31-23-16-24-32-44/h13-32,38-40,45H,33-37H2,1-12H3
InChIKeyXWYPIAXRFPTQIU-UHFFFAOYSA-N
XLogP11.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.27
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-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

[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 59264430
[(1R,3R)-3-[(2S,5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
CID 88877030
(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal
CID 11634036
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790
bis([(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane);bis([(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane);(2R)-2-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]propan-1-ol;bis((E)-3-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]prop-2-en-1-ol);bis(methyl (E)-3-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]prop-2-enoate);trans-(1S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentane-1-carbaldehyde
CID 158246111
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
tert-butyl-[(2,6-dimethoxycyclohexa-2,5-dien-1-yl)methoxy]-diphenylsilane
CID 603410
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782
[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 140733360

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane (CID 68580534) is tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane is CC(C)C(CCC(C)C1(C)CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane?
The InChIKey is XWYPIAXRFPTQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H70OSi2/c1-38(2)45(51(46(4,5)6,41-25-17-13-18-26-41)42-27-19-14-20-28-42)34-33-39(3)49(12)36-35-40(48(49,10)11)37-50-52(47(7,8)9,43-29-21-15-22-30-43)44-31-23-16-24-32-44/h13-32,38-40,45H,33-37H2,1-12H3.
What are the key properties of tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane?
tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane has a molecular weight of 731.27 g/mol, XLogP of 11.51, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[5-[tert-butyl(diphenyl)silyl]-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methoxy]-diphenylsilane is sourced from PubChem (CID 68580534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).