[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane

C48H59ClO6SSi — CID 77179016

IUPAC[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1cc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)sc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C48H59ClO6SSi/c1-34(2)57(35(3)4,36(5)6)54-32-41-27-43(56-48(41)49)45-47(53-31-40-25-17-10-18-26-40)46(52-30-39-23-15-9-16-24-39)44(51-29-38-21-13-8-14-22-38)42(55-45)33-50-28-37-19-11-7-12-20-37/h7-27,34-36,42,44-47H,28-33H2,1-6H3
InChIKeyGJBVFNWJXGBPJN-UHFFFAOYSA-N
MW827.60 g/mol
LogP12.51
Rot. Bonds20

About [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane

[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 77179016) has the molecular formula C48H59ClO6SSi and a molecular weight of 827.60 g/mol. Its IUPAC name is [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane
PubChem CID77179016
Molecular FormulaC48H59ClO6SSi
Molecular Weight827.60 g/mol
Exact Mass826.35
IUPAC Name[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1cc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)sc1Cl)(C(C)C)C(C)C
InChIInChI=1S/C48H59ClO6SSi/c1-34(2)57(35(3)4,36(5)6)54-32-41-27-43(56-48(41)49)45-47(53-31-40-25-17-10-18-26-40)46(52-30-39-23-15-9-16-24-39)44(51-29-38-21-13-8-14-22-38)42(55-45)33-50-28-37-19-11-7-12-20-37/h7-27,34-36,42,44-47H,28-33H2,1-6H3
InChIKeyGJBVFNWJXGBPJN-UHFFFAOYSA-N
XLogP12.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.60
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane
CID 77260001
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
(2R,3R,4R,5R,6R)-2-(3-chloro-5-methylphenyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 150893456
(3S,4R,5R,6R)-2-[5-(bromomethyl)-4-chloro-2-fluorophenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 53330621
3-[[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methyl]-6-ethylpyridazine
CID 77260070
(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-amine
CID 24795389
1-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propane-1,2-diol
CID 155768067
(3R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propan-2-yloxyoxane
CID 146165602
tert-butyl-[[2-chloro-4-prop-2-enoxy-5-[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy]-diphenylsilane
CID 90073607
2-bromo-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-chloro-3-[(3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenol
CID 90073477
2-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1,3-thiazole
CID 10031614

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane (CID 77179016) is [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCc1cc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)sc1Cl)(C(C)C)C(C)C.
What is the InChIKey of [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is GJBVFNWJXGBPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H59ClO6SSi/c1-34(2)57(35(3)4,36(5)6)54-32-41-27-43(56-48(41)49)45-47(53-31-40-25-17-10-18-26-40)46(52-30-39-23-15-9-16-24-39)44(51-29-38-21-13-8-14-22-38)42(55-45)33-50-28-37-19-11-7-12-20-37/h7-27,34-36,42,44-47H,28-33H2,1-6H3.
What are the key properties of [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane?
[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 827.60 g/mol, XLogP of 12.51, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiophen-3-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 77179016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).