tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane

C25H52O3Si3 — CID 11092106

IUPACtert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane
SMILESCC(C)[Si](O[C@@H]1C=C(O[Si](C)(C)C)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C25H52O3Si3/c1-19(2)31(20(3)4,21(5)6)28-24-17-22(26-29(10,11)12)15-16-23(18-24)27-30(13,14)25(7,8)9/h15-17,19-21,23-24H,18H2,1-14H3/t23-,24+/m0/s1
InChIKeyJIUSIWLMVQZJNU-BJKOFHAPSA-N
MW484.95 g/mol
LogP8.63
Rot. Bonds9

About tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane

tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane (PubChem CID 11092106) has the molecular formula C25H52O3Si3 and a molecular weight of 484.95 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane
PubChem CID11092106
Molecular FormulaC25H52O3Si3
Molecular Weight484.95 g/mol
Exact Mass484.32
IUPAC Nametert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane
SMILESCC(C)[Si](O[C@@H]1C=C(O[Si](C)(C)C)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C25H52O3Si3/c1-19(2)31(20(3)4,21(5)6)28-24-17-22(26-29(10,11)12)15-16-23(18-24)27-30(13,14)25(7,8)9/h15-17,19-21,23-24H,18H2,1-14H3/t23-,24+/m0/s1
InChIKeyJIUSIWLMVQZJNU-BJKOFHAPSA-N
XLogP8.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.95
LogP ≤ 58.63
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-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
[(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11168137
[(1R,3E)-1-[(1E,3E)-4-bromobuta-1,3-dienyl]-3,6-dimethyl-5-trimethylsilyloxyhepta-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 11374890
tert-butyl-dimethyl-[(5E)-7-triethylsilyloxyocta-5,7-dienoxy]silane
CID 13067723
tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane
CID 134881303
tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane
CID 134885223
tert-butyl-[(6E,8E)-deca-1,6,8-trien-5-yl]oxy-dimethylsilane
CID 134888524
tert-butyl-[(2S,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhepta-4,6-dienoxy]-dimethylsilane
CID 134950605
(4R,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine
CID 134999538
(4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine
CID 134999539
[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane
CID 135066594
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-hex-1-en-3-yloxy-di(propan-2-yl)silane
CID 135079640

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane (CID 11092106) is tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane is CC(C)[Si](O[C@@H]1C=C(O[Si](C)(C)C)C=C[C@H](O[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane?
The InChIKey is JIUSIWLMVQZJNU-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H52O3Si3/c1-19(2)31(20(3)4,21(5)6)28-24-17-22(26-29(10,11)12)15-16-23(18-24)27-30(13,14)25(7,8)9/h15-17,19-21,23-24H,18H2,1-14H3/t23-,24+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane?
tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane has a molecular weight of 484.95 g/mol, XLogP of 8.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,6S)-4-trimethylsilyloxy-6-tri(propan-2-yl)silyloxycyclohepta-2,4-dien-1-yl]oxysilane is sourced from PubChem (CID 11092106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).