tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate

C80H204O28Si21 — CID 87488854

IUPACtetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate
SMILESCCC(O)[Si](C)(C)O[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)C(CC)[Si](C)(C)O[Si](O[Si](C)(C)C(CC)[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(CC)[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)O[Si](C)(C)C(O)CC)O[Si](C)(C)C(CC)[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)O[Si](C)(C)C(O)CC
InChIInChI=1S/C80H204O28Si21/c1-49-65(81)109(17,18)93-125(94-110(19,20)66(82)50-2,95-111(21,22)67(83)51-3)77(61-13)121(41,42)105-129(106-122(43,44)78(62-14)126(96-112(23,24)68(84)52-4,97-113(25,26)69(85)53-5)98-114(27,28)70(86)54-6,107-123(45,46)79(63-15)127(99-115(29,30)71(87)55-7,100-116(31,32)72(88)56-8)101-117(33,34)73(89)57-9)108-124(47,48)80(64-16)128(102-118(35,36)74(90)58-10,103-119(37,38)75(91)59-11)104-120(39,40)76(92)60-12/h65-92H,49-64H2,1-48H3
InChIKeyQCMBAKQWIVYAKE-UHFFFAOYSA-N
MW2204.29 g/mol
LogP17.72
Rot. Bonds68

About tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate

tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate (PubChem CID 87488854) has the molecular formula C80H204O28Si21 and a molecular weight of 2204.29 g/mol. Its IUPAC name is tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate.

Molecular Properties

Compound Nametetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate
PubChem CID87488854
Molecular FormulaC80H204O28Si21
Molecular Weight2204.29 g/mol
Exact Mass2200.97
IUPAC Nametetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate
SMILESCCC(O)[Si](C)(C)O[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)C(CC)[Si](C)(C)O[Si](O[Si](C)(C)C(CC)[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(CC)[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)O[Si](C)(C)C(O)CC)O[Si](C)(C)C(CC)[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)O[Si](C)(C)C(O)CC
InChIInChI=1S/C80H204O28Si21/c1-49-65(81)109(17,18)93-125(94-110(19,20)66(82)50-2,95-111(21,22)67(83)51-3)77(61-13)121(41,42)105-129(106-122(43,44)78(62-14)126(96-112(23,24)68(84)52-4,97-113(25,26)69(85)53-5)98-114(27,28)70(86)54-6,107-123(45,46)79(63-15)127(99-115(29,30)71(87)55-7,100-116(31,32)72(88)56-8)101-117(33,34)73(89)57-9)108-124(47,48)80(64-16)128(102-118(35,36)74(90)58-10,103-119(37,38)75(91)59-11)104-120(39,40)76(92)60-12/h65-92H,49-64H2,1-48H3
InChIKeyQCMBAKQWIVYAKE-UHFFFAOYSA-N
XLogP17.72
TPSA390.44 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds68
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002204.29
LogP ≤ 517.72
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate?
The IUPAC name of tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate (CID 87488854) is tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate.
What is the SMILES notation for tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate?
The canonical SMILES for tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate is CCC(O)[Si](C)(C)O[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)C(CC)[Si](C)(C)O[Si](O[Si](C)(C)C(CC)[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(CC)[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)O[Si](C)(C)C(O)CC)O[Si](C)(C)C(CC)[Si](O[Si](C)(C)C(O)CC)(O[Si](C)(C)C(O)CC)O[Si](C)(C)C(O)CC.
What is the InChIKey of tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate?
The InChIKey is QCMBAKQWIVYAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H204O28Si21/c1-49-65(81)109(17,18)93-125(94-110(19,20)66(82)50-2,95-111(21,22)67(83)51-3)77(61-13)121(41,42)105-129(106-122(43,44)78(62-14)126(96-112(23,24)68(84)52-4,97-113(25,26)69(85)53-5)98-114(27,28)70(86)54-6,107-123(45,46)79(63-15)127(99-115(29,30)71(87)55-7,100-116(31,32)72(88)56-8)101-117(33,34)73(89)57-9)108-124(47,48)80(64-16)128(102-118(35,36)74(90)58-10,103-119(37,38)75(91)59-11)104-120(39,40)76(92)60-12/h65-92H,49-64H2,1-48H3.
What are the key properties of tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate?
tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate has a molecular weight of 2204.29 g/mol, XLogP of 17.72, 68 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[dimethyl-[1-tris[[1-hydroxypropyl(dimethyl)silyl]oxy]silylpropyl]silyl] silicate is sourced from PubChem (CID 87488854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).