2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol

C35H90O11Si9 — CID 153425789

IUPAC2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
SMILESC[Si](C)(C)O[Si](C)(CCCOC(CO)C(OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C35H90O11Si9/c1-47(2,3)41-53(19,42-48(4,5)6)28-22-25-38-33(31-36)35(40-27-24-30-55(21,45-51(13,14)15)46-52(16,17)18)34(32-37)39-26-23-29-54(20,43-49(7,8)9)44-50(10,11)12/h33-37H,22-32H2,1-21H3
InChIKeyPYOSABVPKRTURE-UHFFFAOYSA-N
MW939.87 g/mol
LogP9.62
Rot. Bonds31

About 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol

2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol (PubChem CID 153425789) has the molecular formula C35H90O11Si9 and a molecular weight of 939.87 g/mol. Its IUPAC name is 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol.

Molecular Properties

Compound Name2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
PubChem CID153425789
Molecular FormulaC35H90O11Si9
Molecular Weight939.87 g/mol
Exact Mass938.44
IUPAC Name2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
SMILESC[Si](C)(C)O[Si](C)(CCCOC(CO)C(OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C35H90O11Si9/c1-47(2,3)41-53(19,42-48(4,5)6)28-22-25-38-33(31-36)35(40-27-24-30-55(21,45-51(13,14)15)46-52(16,17)18)34(32-37)39-26-23-29-54(20,43-49(7,8)9)44-50(10,11)12/h33-37H,22-32H2,1-21H3
InChIKeyPYOSABVPKRTURE-UHFFFAOYSA-N
XLogP9.62
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds31
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500939.87
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5S)-2,3,4,5-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
CID 153425811
2,4-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-3,5-bis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol
CID 153425775
2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3,4,5-tris[3-tris(trimethylsilyloxy)silylpropoxy]hexane-1,6-diol
CID 153425816
(2S,4R)-2,3,4-tris[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol
CID 153425807
(2S,3R)-2,3-bis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]butane-1,4-diol
CID 153425788
2,3,4,5-tetrakis[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]hexane-1,6-diol;2,3,4,5-tetrakis(3-triethylsilylpropoxy)hexane-1,6-diol
CID 159017030
(2S,4R)-2,3,4-tris(3-triethylsilylpropoxy)pentane-1,5-diol
CID 153425778
(2R,3S)-2,3-bis[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]butane-1,4-diol
CID 153425799
3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol
CID 164730273
6-[methyl-bis(trimethylsilyloxy)silyl]hexan-1-ol
CID 59029801
(2S,3R)-2,3-bis(3-triethylsilylpropoxy)butane-1,4-diol
CID 153425823
3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol
CID 58479003

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol?
The IUPAC name of 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol (CID 153425789) is 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol.
What is the SMILES notation for 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol?
The canonical SMILES for 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol is C[Si](C)(C)O[Si](C)(CCCOC(CO)C(OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol?
The InChIKey is PYOSABVPKRTURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H90O11Si9/c1-47(2,3)41-53(19,42-48(4,5)6)28-22-25-38-33(31-36)35(40-27-24-30-55(21,45-51(13,14)15)46-52(16,17)18)34(32-37)39-26-23-29-54(20,43-49(7,8)9)44-50(10,11)12/h33-37H,22-32H2,1-21H3.
What are the key properties of 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol?
2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol has a molecular weight of 939.87 g/mol, XLogP of 9.62, 31 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]pentane-1,5-diol is sourced from PubChem (CID 153425789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).