2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol

C34H78O20Si5 — CID 164734481

IUPAC2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol
SMILESCOCC(O)COCCC[Si]1(C)O[Si](C)(CCCOCC(O)O)O[Si](C)(CCCOCC(O)O)O[Si](C)(CCCOCC(O)O)O[Si](C)(CCCOCC(O)COC)O1
InChIInChI=1S/C34H78O20Si5/c1-43-23-30(35)25-45-13-8-18-55(3)50-56(4,19-9-14-46-26-31(36)24-44-2)52-58(6,21-11-16-48-28-33(39)40)54-59(7,22-12-17-49-29-34(41)42)53-57(5,51-55)20-10-15-47-27-32(37)38/h30-42H,8-29H2,1-7H3
InChIKeyMOLGSEYLQCAKLV-UHFFFAOYSA-N
MW947.41 g/mol
LogP0.42
Rot. Bonds34

About 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol

2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol (PubChem CID 164734481) has the molecular formula C34H78O20Si5 and a molecular weight of 947.41 g/mol. Its IUPAC name is 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol.

Molecular Properties

Compound Name2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol
PubChem CID164734481
Molecular FormulaC34H78O20Si5
Molecular Weight947.41 g/mol
Exact Mass946.39
IUPAC Name2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol
SMILESCOCC(O)COCCC[Si]1(C)O[Si](C)(CCCOCC(O)O)O[Si](C)(CCCOCC(O)O)O[Si](C)(CCCOCC(O)O)O[Si](C)(CCCOCC(O)COC)O1
InChIInChI=1S/C34H78O20Si5/c1-43-23-30(35)25-45-13-8-18-55(3)50-56(4,19-9-14-46-26-31(36)24-44-2)52-58(6,21-11-16-48-28-33(39)40)54-59(7,22-12-17-49-29-34(41)42)53-57(5,51-55)20-10-15-47-27-32(37)38/h30-42H,8-29H2,1-7H3
InChIKeyMOLGSEYLQCAKLV-UHFFFAOYSA-N
XLogP0.42
TPSA272.60 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.41
LogP ≤ 50.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

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'}

Analyze 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol?
The IUPAC name of 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol (CID 164734481) is 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol.
What is the SMILES notation for 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol?
The canonical SMILES for 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol is COCC(O)COCCC[Si]1(C)O[Si](C)(CCCOCC(O)O)O[Si](C)(CCCOCC(O)O)O[Si](C)(CCCOCC(O)O)O[Si](C)(CCCOCC(O)COC)O1.
What is the InChIKey of 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol?
The InChIKey is MOLGSEYLQCAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H78O20Si5/c1-43-23-30(35)25-45-13-8-18-55(3)50-56(4,19-9-14-46-26-31(36)24-44-2)52-58(6,21-11-16-48-28-33(39)40)54-59(7,22-12-17-49-29-34(41)42)53-57(5,51-55)20-10-15-47-27-32(37)38/h30-42H,8-29H2,1-7H3.
What are the key properties of 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol?
2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol has a molecular weight of 947.41 g/mol, XLogP of 0.42, 34 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-bis[3-(2,2-dihydroxyethoxy)propyl]-8,10-bis[3-(2-hydroxy-3-methoxypropoxy)propyl]-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl]propoxy]ethane-1,1-diol is sourced from PubChem (CID 164734481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).