7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one

C67H158O28Si12 — CID 160918976

IUPAC7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
SMILESCO[Si](CCC[Si](CCCC(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CC(C)=O)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C67H158O28Si12/c1-66(68)65-67(41-29-44-96(47-32-56-99(69-2,70-3)71-4,48-33-57-100(72-5,73-6)74-7)49-34-58-101(75-8,76-9)77-10,42-30-45-97(50-35-59-102(78-11,79-12)80-13,51-36-60-103(81-14,82-15)83-16)52-37-61-104(84-17,85-18)86-19)43-31-46-98(53-38-62-105(87-20,88-21)89-22,54-39-63-106(90-23,91-24)92-25)55-40-64-107(93-26,94-27)95-28/h29-65H2,1-28H3
InChIKeyLAAPXBNZZMNCAH-UHFFFAOYSA-N
MW1749.00 g/mol
LogP14.05
Rot. Bonds77

About 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one

7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one (PubChem CID 160918976) has the molecular formula C67H158O28Si12 and a molecular weight of 1749.00 g/mol. Its IUPAC name is 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one.

Molecular Properties

Compound Name7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
PubChem CID160918976
Molecular FormulaC67H158O28Si12
Molecular Weight1749.00 g/mol
Exact Mass1746.82
IUPAC Name7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one
SMILESCO[Si](CCC[Si](CCCC(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CC(C)=O)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C67H158O28Si12/c1-66(68)65-67(41-29-44-96(47-32-56-99(69-2,70-3)71-4,48-33-57-100(72-5,73-6)74-7)49-34-58-101(75-8,76-9)77-10,42-30-45-97(50-35-59-102(78-11,79-12)80-13,51-36-60-103(81-14,82-15)83-16)52-37-61-104(84-17,85-18)86-19)43-31-46-98(53-38-62-105(87-20,88-21)89-22,54-39-63-106(90-23,91-24)92-25)55-40-64-107(93-26,94-27)95-28/h29-65H2,1-28H3
InChIKeyLAAPXBNZZMNCAH-UHFFFAOYSA-N
XLogP14.05
TPSA266.28 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds77
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001749.00
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 158894670
trimethoxy-[3-[3-[4-methyl-1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-yl]oxypropyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 160847650
1,7-bis[tris(3-trimethoxysilylpropyl)silyl]heptan-4-ol
CID 176610404
4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
N-methyl-5-trimethoxysilyl-N-[6-trimethoxysilyl-2,2-bis(4-trimethoxysilylbutyl)hexyl]pentanamide
CID 161095744
3,3-bis(3-triethoxysilylpropyl)pentanebis(thioic S-acid)
CID 162187678
acetic acid;2-azanidylethyl(3-trimethoxysilylpropyl)azanide;palladium(2+)
CID 134959220
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
3-ethoxypropyl-tris[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 157122968
2,2-dimethyl-5-trimethoxysilylpentanal
CID 86093954
N,N'-bis(3-trimethoxysilylpropyl)oxamide
CID 122383973
4-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentoxy]butan-2-ol
CID 157238818

Frequently Asked Questions

What is the IUPAC name of 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one?
The IUPAC name of 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one (CID 160918976) is 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one.
What is the SMILES notation for 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one?
The canonical SMILES for 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one is CO[Si](CCC[Si](CCCC(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(CCC[Si](CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CC(C)=O)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one?
The InChIKey is LAAPXBNZZMNCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H158O28Si12/c1-66(68)65-67(41-29-44-96(47-32-56-99(69-2,70-3)71-4,48-33-57-100(72-5,73-6)74-7)49-34-58-101(75-8,76-9)77-10,42-30-45-97(50-35-59-102(78-11,79-12)80-13,51-36-60-103(81-14,82-15)83-16)52-37-61-104(84-17,85-18)86-19)43-31-46-98(53-38-62-105(87-20,88-21)89-22,54-39-63-106(90-23,91-24)92-25)55-40-64-107(93-26,94-27)95-28/h29-65H2,1-28H3.
What are the key properties of 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one?
7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one has a molecular weight of 1749.00 g/mol, XLogP of 14.05, 77 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tris(3-trimethoxysilylpropyl)silyl]-4,4-bis[3-[tris(3-trimethoxysilylpropyl)silyl]propyl]heptan-2-one is sourced from PubChem (CID 160918976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).