trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane

C15H22O3Si2 — CID 13219766

IUPACtrimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane
SMILESC[Si](C)(C)c1ccc([Si]23OC4CC(CC(C4)O2)O3)cc1
InChIInChI=1S/C15H22O3Si2/c1-19(2,3)14-4-6-15(7-5-14)20-16-11-8-12(17-20)10-13(9-11)18-20/h4-7,11-13H,8-10H2,1-3H3
InChIKeyQEVVCEUKKSQUGZ-UHFFFAOYSA-N
MW306.51 g/mol
LogP1.74
Rot. Bonds2

About trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane

trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane (PubChem CID 13219766) has the molecular formula C15H22O3Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane
PubChem CID13219766
Molecular FormulaC15H22O3Si2
Molecular Weight306.51 g/mol
Exact Mass306.11
IUPAC Nametrimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane
SMILESC[Si](C)(C)c1ccc([Si]23OC4CC(CC(C4)O2)O3)cc1
InChIInChI=1S/C15H22O3Si2/c1-19(2,3)14-4-6-15(7-5-14)20-16-11-8-12(17-20)10-13(9-11)18-20/h4-7,11-13H,8-10H2,1-3H3
InChIKeyQEVVCEUKKSQUGZ-UHFFFAOYSA-N
XLogP1.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane?
The IUPAC name of trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane (CID 13219766) is trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane.
What is the SMILES notation for trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane?
The canonical SMILES for trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane is C[Si](C)(C)c1ccc([Si]23OC4CC(CC(C4)O2)O3)cc1.
What is the InChIKey of trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane?
The InChIKey is QEVVCEUKKSQUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3Si2/c1-19(2,3)14-4-6-15(7-5-14)20-16-11-8-12(17-20)10-13(9-11)18-20/h4-7,11-13H,8-10H2,1-3H3.
What are the key properties of trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane?
trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane has a molecular weight of 306.51 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(2,8,9-trioxa-1-silatricyclo[3.3.1.13,7]decan-1-yl)phenyl]silane is sourced from PubChem (CID 13219766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).