trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane

C21H38OSi4 — CID 23249430

IUPACtrimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane
SMILESC[Si](C)(C)O[C@@]1(c2ccccc2)[C@@H]2C=C[C@@H](C2)[Si]1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C21H38OSi4/c1-23(2,3)22-21(18-13-11-10-12-14-18)19-15-16-20(17-19)26(21,24(4,5)6)25(7,8)9/h10-16,19-20H,17H2,1-9H3/t19-,20+,21-/m1/s1
InChIKeyLDUPUNQSONBXTD-QHAWAJNXSA-N
MW418.88 g/mol
LogP6.51
Rot. Bonds5

About trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane

trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane (PubChem CID 23249430) has the molecular formula C21H38OSi4 and a molecular weight of 418.88 g/mol. Its IUPAC name is trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane
PubChem CID23249430
Molecular FormulaC21H38OSi4
Molecular Weight418.88 g/mol
Exact Mass418.20
IUPAC Nametrimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane
SMILESC[Si](C)(C)O[C@@]1(c2ccccc2)[C@@H]2C=C[C@@H](C2)[Si]1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C21H38OSi4/c1-23(2,3)22-21(18-13-11-10-12-14-18)19-15-16-20(17-19)26(21,24(4,5)6)25(7,8)9/h10-16,19-20H,17H2,1-9H3/t19-,20+,21-/m1/s1
InChIKeyLDUPUNQSONBXTD-QHAWAJNXSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[[(1S,3R,4R)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane
CID 10862679
trimethyl-[(1R,2R)-1-methyl-2-phenyl-2-trimethylsilyloxycyclopropyl]oxysilane
CID 102015524
2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile
CID 13199261
(1R,5S,7S)-7-ethenyl-1-phenyl-7-trimethylsilyloxy-2-oxabicyclo[3.2.0]heptane-3,4-dione
CID 10710530
[(1R,6R)-1-tert-butyl-3,4-dimethyl-6-phenyl-1-trimethylsilyl-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
CID 102048786
(2,2-difluoro-1-phenylcyclopropyl)oxy-trimethylsilane;methane;trimethyl(1-phenylethenoxy)silane
CID 159886663
2-phenyltricyclo[3.2.1.02,4]oct-6-ene
CID 72795996
3-methylselanyl-3-phenyl-2-selenabicyclo[2.2.1]hept-5-ene
CID 15646658
[(1S,2S)-1-methoxy-2-phenyl-2-propan-2-ylcyclopropyl]oxy-trimethylsilane
CID 10378846
cis-(1R,2S)-2-phenyl-1-propan-2-yl-2-trimethylsilyloxycyclopropan-1-ol
CID 10956424
(1-methoxy-2-phenyl-1-trimethylsilyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl)oxy-trimethylsilane
CID 101400716
3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile
CID 10924629

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane?
The IUPAC name of trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane (CID 23249430) is trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane is C[Si](C)(C)O[C@@]1(c2ccccc2)[C@@H]2C=C[C@@H](C2)[Si]1([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane?
The InChIKey is LDUPUNQSONBXTD-QHAWAJNXSA-N. The full InChI is InChI=1S/C21H38OSi4/c1-23(2,3)22-21(18-13-11-10-12-14-18)19-15-16-20(17-19)26(21,24(4,5)6)25(7,8)9/h10-16,19-20H,17H2,1-9H3/t19-,20+,21-/m1/s1.
What are the key properties of trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane?
trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane has a molecular weight of 418.88 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1R,3S,4S)-3-phenyl-2,2-bis(trimethylsilyl)-2-silabicyclo[2.2.1]hept-5-en-3-yl]oxy]silane is sourced from PubChem (CID 23249430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).