[(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane

C42H70O7Si2 — CID 134882676

IUPAC[(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCOCc2ccccc2)C=C[C@H]1OCOCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C42H70O7Si2/c1-31(2)50(32(3)4,33(5)6)47-27-41-39(45-29-43-25-37-19-15-13-16-20-37)23-24-40(46-30-44-26-38-21-17-14-18-22-38)42(49-41)28-48-51(34(7)8,35(9)10)36(11)12/h13-24,31-36,39-42H,25-30H2,1-12H3/t39-,40+,41+,42-
InChIKeyGTBMKMPJWGQISE-RTYOPHJZSA-N
MW743.19 g/mol
LogP10.81
Rot. Bonds22

About [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane

[(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 134882676) has the molecular formula C42H70O7Si2 and a molecular weight of 743.19 g/mol. Its IUPAC name is [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID134882676
Molecular FormulaC42H70O7Si2
Molecular Weight743.19 g/mol
Exact Mass742.47
IUPAC Name[(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCOCc2ccccc2)C=C[C@H]1OCOCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C42H70O7Si2/c1-31(2)50(32(3)4,33(5)6)47-27-41-39(45-29-43-25-37-19-15-13-16-20-37)23-24-40(46-30-44-26-38-21-17-14-18-22-38)42(49-41)28-48-51(34(7)8,35(9)10)36(11)12/h13-24,31-36,39-42H,25-30H2,1-12H3/t39-,40+,41+,42-
InChIKeyGTBMKMPJWGQISE-RTYOPHJZSA-N
XLogP10.81
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.19
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane (CID 134882676) is [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H]1O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCOCc2ccccc2)C=C[C@H]1OCOCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is GTBMKMPJWGQISE-RTYOPHJZSA-N. The full InChI is InChI=1S/C42H70O7Si2/c1-31(2)50(32(3)4,33(5)6)47-27-41-39(45-29-43-25-37-19-15-13-16-20-37)23-24-40(46-30-44-26-38-21-17-14-18-22-38)42(49-41)28-48-51(34(7)8,35(9)10)36(11)12/h13-24,31-36,39-42H,25-30H2,1-12H3/t39-,40+,41+,42-.
What are the key properties of [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane?
[(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 743.19 g/mol, XLogP of 10.81, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R,7S)-3,6-bis(phenylmethoxymethoxy)-7-[tri(propan-2-yl)silyloxymethyl]-2,3,6,7-tetrahydrooxepin-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134882676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).