[(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane

C29H38O4Si — CID 10254506

IUPAC[(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C2O[C@@H]2[C@@H]2C[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]12
InChIInChI=1S/C29H38O4Si/c1-29(2,3)34(4,5)32-19-23-25-22(26-27(23)33-26)16-24(30-17-20-12-8-6-9-13-20)28(25)31-18-21-14-10-7-11-15-21/h6-15,22,24-26,28H,16-19H2,1-5H3/t22-,24-,25+,26-,28-/m1/s1
InChIKeyLGAAHCMMGXCPOF-HOZVGSINSA-N
MW478.71 g/mol
LogP6.48
Rot. Bonds9

About [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane

[(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10254506) has the molecular formula C29H38O4Si and a molecular weight of 478.71 g/mol. Its IUPAC name is [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10254506
Molecular FormulaC29H38O4Si
Molecular Weight478.71 g/mol
Exact Mass478.25
IUPAC Name[(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=C2O[C@@H]2[C@@H]2C[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]12
InChIInChI=1S/C29H38O4Si/c1-29(2,3)34(4,5)32-19-23-25-22(26-27(23)33-26)16-24(30-17-20-12-8-6-9-13-20)28(25)31-18-21-14-10-7-11-15-21/h6-15,22,24-26,28H,16-19H2,1-5H3/t22-,24-,25+,26-,28-/m1/s1
InChIKeyLGAAHCMMGXCPOF-HOZVGSINSA-N
XLogP6.48
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.71
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786
(1S,3R,3aS,7S,7aR)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-bis(phenylmethoxy)-1,2,3,3a,7,7a-hexahydroinden-4-one
CID 11237227
2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 123486303
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
CID 158326767
tert-butyl-dimethyl-[(2R,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxysilane
CID 73292656
tert-butyl-[[(8R,9S,10S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-yl]oxy]-dimethylsilane
CID 11319886
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane (CID 10254506) is [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=C2O[C@@H]2[C@@H]2C[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]12.
What is the InChIKey of [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is LGAAHCMMGXCPOF-HOZVGSINSA-N. The full InChI is InChI=1S/C29H38O4Si/c1-29(2,3)34(4,5)32-19-23-25-22(26-27(23)33-26)16-24(30-17-20-12-8-6-9-13-20)28(25)31-18-21-14-10-7-11-15-21/h6-15,22,24-26,28H,16-19H2,1-5H3/t22-,24-,25+,26-,28-/m1/s1.
What are the key properties of [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane?
[(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 478.71 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6S,7S,8R)-7,8-bis(phenylmethoxy)-3-oxatricyclo[4.3.0.02,4]non-4-en-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10254506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).