4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane

C3H12O4Si3 — CID 123910397

IUPAC4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane
SMILESC[Si]1(C)O[SiH2]OCO[SiH2]O1
InChIInChI=1S/C3H12O4Si3/c1-10(2)6-8-4-3-5-9-7-10/h3,8-9H2,1-2H3
InChIKeyNCNSJEAMIJNBJI-UHFFFAOYSA-N
MW196.38 g/mol
LogP-1.28
Rot. Bonds

About 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane

4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane (PubChem CID 123910397) has the molecular formula C3H12O4Si3 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane.

Molecular Properties

Compound Name4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane
PubChem CID123910397
Molecular FormulaC3H12O4Si3
Molecular Weight196.38 g/mol
Exact Mass196.00
IUPAC Name4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane
SMILESC[Si]1(C)O[SiH2]OCO[SiH2]O1
InChIInChI=1S/C3H12O4Si3/c1-10(2)6-8-4-3-5-9-7-10/h3,8-9H2,1-2H3
InChIKeyNCNSJEAMIJNBJI-UHFFFAOYSA-N
XLogP-1.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4-tetramethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradecane
CID 154020976
4,4-dichloro-2,2,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 154413873
2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane
CID 123709601
(4,4,6,6-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)silane
CID 123479030
2-ethenyl-2,4,4,6,6-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 123839311
1,5,2,4-dioxadisilinane
CID 173069997
2-ethenyl-2,4,4,6,6-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 123589513
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46,48,48,50,50,52,52,54,54,56,56,58,58-octapentacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosasilacyclooctapentacontane
CID 528782
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
CID 519600
2,2,4,4-tetramethyl-6-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 123845404
1,3,6,2-dioxazasilocane
CID 152746291
2-(2-cyclohexylethyl)-2-methyl-1,3,2,4-dioxadisiletane
CID 123227097

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane?
The IUPAC name of 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane (CID 123910397) is 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane.
What is the SMILES notation for 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane?
The canonical SMILES for 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane is C[Si]1(C)O[SiH2]OCO[SiH2]O1.
What is the InChIKey of 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane?
The InChIKey is NCNSJEAMIJNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12O4Si3/c1-10(2)6-8-4-3-5-9-7-10/h3,8-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane?
4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane has a molecular weight of 196.38 g/mol, XLogP of -1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,3,5,7,2,4,6-tetraoxatrisilocane is sourced from PubChem (CID 123910397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).