[6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane

C122H142O21Si — CID 58627381

IUPAC[6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane
SMILESC=CCCCOC1OC(COC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(CO[Si](C(C)C)(C(C)C)C(C)C)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C122H142O21Si/c1-8-9-46-71-125-119-115(134-82-101-67-42-20-43-68-101)111(130-78-97-59-34-16-35-60-97)109(128-76-95-55-30-14-31-56-95)105(139-119)86-136-120-117(113(132-80-99-63-38-18-39-64-99)108(127-75-94-53-28-13-29-54-94)103(138-120)84-123-72-91-47-22-10-23-48-91)142-122-118(114(133-81-100-65-40-19-41-66-100)110(129-77-96-57-32-15-33-58-96)106(141-122)87-137-144(88(2)3,89(4)5)90(6)7)143-121-116(135-83-102-69-44-21-45-70-102)112(131-79-98-61-36-17-37-62-98)107(126-74-93-51-26-12-27-52-93)104(140-121)85-124-73-92-49-24-11-25-50-92/h8,10-45,47-70,88-90,103-122H,1,9,46,71-87H2,2-7H3
InChIKeyIOWGOLVDMYHEAE-UHFFFAOYSA-N
MW1972.54 g/mol
LogP23.14
Rot. Bonds56

About [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane

[6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 58627381) has the molecular formula C122H142O21Si and a molecular weight of 1972.54 g/mol. Its IUPAC name is [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID58627381
Molecular FormulaC122H142O21Si
Molecular Weight1972.54 g/mol
Exact Mass1970.98
IUPAC Name[6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane
SMILESC=CCCCOC1OC(COC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(CO[Si](C(C)C)(C(C)C)C(C)C)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C122H142O21Si/c1-8-9-46-71-125-119-115(134-82-101-67-42-20-43-68-101)111(130-78-97-59-34-16-35-60-97)109(128-76-95-55-30-14-31-56-95)105(139-119)86-136-120-117(113(132-80-99-63-38-18-39-64-99)108(127-75-94-53-28-13-29-54-94)103(138-120)84-123-72-91-47-22-10-23-48-91)142-122-118(114(133-81-100-65-40-19-41-66-100)110(129-77-96-57-32-15-33-58-96)106(141-122)87-137-144(88(2)3,89(4)5)90(6)7)143-121-116(135-83-102-69-44-21-45-70-102)112(131-79-98-61-36-17-37-62-98)107(126-74-93-51-26-12-27-52-93)104(140-121)85-124-73-92-49-24-11-25-50-92/h8,10-45,47-70,88-90,103-122H,1,9,46,71-87H2,2-7H3
InChIKeyIOWGOLVDMYHEAE-UHFFFAOYSA-N
XLogP23.14
TPSA193.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds56
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001972.54
LogP ≤ 523.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane (CID 58627381) is [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane is C=CCCCOC1OC(COC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(CO[Si](C(C)C)(C(C)C)C(C)C)C(OCc3ccccc3)C(OCc3ccccc3)C2OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is IOWGOLVDMYHEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H142O21Si/c1-8-9-46-71-125-119-115(134-82-101-67-42-20-43-68-101)111(130-78-97-59-34-16-35-60-97)109(128-76-95-55-30-14-31-56-95)105(139-119)86-136-120-117(113(132-80-99-63-38-18-39-64-99)108(127-75-94-53-28-13-29-54-94)103(138-120)84-123-72-91-47-22-10-23-48-91)142-122-118(114(133-81-100-65-40-19-41-66-100)110(129-77-96-57-32-15-33-58-96)106(141-122)87-137-144(88(2)3,89(4)5)90(6)7)143-121-116(135-83-102-69-44-21-45-70-102)112(131-79-98-61-36-17-37-62-98)107(126-74-93-51-26-12-27-52-93)104(140-121)85-124-73-92-49-24-11-25-50-92/h8,10-45,47-70,88-90,103-122H,1,9,46,71-87H2,2-7H3.
What are the key properties of [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane?
[6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 1972.54 g/mol, XLogP of 23.14, 56 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[[6-pent-4-enoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4-bis(phenylmethoxy)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 58627381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).