tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane

C30H48O2SSi2 — CID 177471883

IUPACtert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
SMILESCC(C)[Si](OC1(c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)=CC1c1cccs1)(C(C)C)C(C)C
InChIInChI=1S/C30H48O2SSi2/c1-22(2)35(23(3)4,24(5)6)32-30(25-16-13-12-14-17-25)21-26(31-34(10,11)29(7,8)9)20-27(30)28-18-15-19-33-28/h12-20,22-24,27H,21H2,1-11H3
InChIKeyVKIYIPLNJCHLKN-UHFFFAOYSA-N
MW528.95 g/mol
LogP10.23
Rot. Bonds9

About tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane

tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane (PubChem CID 177471883) has the molecular formula C30H48O2SSi2 and a molecular weight of 528.95 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
PubChem CID177471883
Molecular FormulaC30H48O2SSi2
Molecular Weight528.95 g/mol
Exact Mass528.29
IUPAC Nametert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
SMILESCC(C)[Si](OC1(c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)=CC1c1cccs1)(C(C)C)C(C)C
InChIInChI=1S/C30H48O2SSi2/c1-22(2)35(23(3)4,24(5)6)32-30(25-16-13-12-14-17-25)21-26(31-34(10,11)29(7,8)9)20-27(30)28-18-15-19-33-28/h12-20,22-24,27H,21H2,1-11H3
InChIKeyVKIYIPLNJCHLKN-UHFFFAOYSA-N
XLogP10.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.95
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[4-phenyl-3-[4-(trifluoromethyl)phenyl]-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane
CID 177494411
tert-butyl-dimethyl-thiophen-2-yloxysilane
CID 11053031
tert-butyl-(4,4-difluoro-3-propylcyclopenten-1-yl)oxy-dimethylsilane
CID 122389927
tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane
CID 11392094
tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane
CID 134924163
trimethyl-(3-thiophen-2-ylcyclohexen-1-yl)oxysilane
CID 10729521
tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
CID 162540016
(1S,2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecyl-2-phenylsulfanylcyclopent-3-en-1-ol
CID 11813597
(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane
CID 13293861
tert-butyl-[2-[4-iodo-1-[1-(thiophen-2-ylmethyl)cyclobutyl]butyl]phenoxy]-dimethylsilane
CID 69474847
(2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine
CID 11232882
(4-tert-butyl-4-phenyl-1-pyridinyl)-tri(propan-2-yl)silane
CID 101394548

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane (CID 177471883) is tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane is CC(C)[Si](OC1(c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)=CC1c1cccs1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane?
The InChIKey is VKIYIPLNJCHLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O2SSi2/c1-22(2)35(23(3)4,24(5)6)32-30(25-16-13-12-14-17-25)21-26(31-34(10,11)29(7,8)9)20-27(30)28-18-15-19-33-28/h12-20,22-24,27H,21H2,1-11H3.
What are the key properties of tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane?
tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane has a molecular weight of 528.95 g/mol, XLogP of 10.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-phenyl-3-thiophen-2-yl-4-tri(propan-2-yl)silyloxycyclopenten-1-yl]oxysilane is sourced from PubChem (CID 177471883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).