tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane

C29H32O2Si — CID 101229420

IUPACtert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](O/C=C1\CC[C@@H]2O[C@H](C1)c1ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32O2Si/c1-29(2,3)32(23-12-6-4-7-13-23,24-14-8-5-9-15-24)30-21-22-18-19-27-25-16-10-11-17-26(25)28(20-22)31-27/h4-17,21,27-28H,18-20H2,1-3H3/b22-21+/t27-,28+/m0/s1
InChIKeyZLWBOVZUHHHVAT-RRKDMDGFSA-N
MW440.66 g/mol
LogP6.44
Rot. Bonds4

About tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane

tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane (PubChem CID 101229420) has the molecular formula C29H32O2Si and a molecular weight of 440.66 g/mol. Its IUPAC name is tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane
PubChem CID101229420
Molecular FormulaC29H32O2Si
Molecular Weight440.66 g/mol
Exact Mass440.22
IUPAC Nametert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](O/C=C1\CC[C@@H]2O[C@H](C1)c1ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32O2Si/c1-29(2,3)32(23-12-6-4-7-13-23,24-14-8-5-9-15-24)30-21-22-18-19-27-25-16-10-11-17-26(25)28(20-22)31-27/h4-17,21,27-28H,18-20H2,1-3H3/b22-21+/t27-,28+/m0/s1
InChIKeyZLWBOVZUHHHVAT-RRKDMDGFSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.66
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl-diphenyl-trimethylsilyloxysilane
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cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
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CID 11462313
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CID 154401251
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CID 10981523
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tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
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CID 14862243

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane (CID 101229420) is tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane is CC(C)(C)[Si](O/C=C1\CC[C@@H]2O[C@H](C1)c1ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane?
The InChIKey is ZLWBOVZUHHHVAT-RRKDMDGFSA-N. The full InChI is InChI=1S/C29H32O2Si/c1-29(2,3)32(23-12-6-4-7-13-23,24-14-8-5-9-15-24)30-21-22-18-19-27-25-16-10-11-17-26(25)28(20-22)31-27/h4-17,21,27-28H,18-20H2,1-3H3/b22-21+/t27-,28+/m0/s1.
What are the key properties of tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane?
tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane has a molecular weight of 440.66 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-[(1S,8R)-13-oxatricyclo[6.4.1.02,7]trideca-2,4,6-trien-10-ylidene]methoxy]-diphenylsilane is sourced from PubChem (CID 101229420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).