trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane

C13H22OSi2 — CID 613785

IUPACtrimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane
SMILESC[Si](C)(C)Oc1ccc([Si]2(C)CCC2)cc1
InChIInChI=1S/C13H22OSi2/c1-15(2,3)14-12-6-8-13(9-7-12)16(4)10-5-11-16/h6-9H,5,10-11H2,1-4H3
InChIKeyBPYVLAVQGMSVJI-UHFFFAOYSA-N
MW250.49 g/mol
LogP3.59
Rot. Bonds3

About trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane

trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane (PubChem CID 613785) has the molecular formula C13H22OSi2 and a molecular weight of 250.49 g/mol. Its IUPAC name is trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane
PubChem CID613785
Molecular FormulaC13H22OSi2
Molecular Weight250.49 g/mol
Exact Mass250.12
IUPAC Nametrimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane
SMILESC[Si](C)(C)Oc1ccc([Si]2(C)CCC2)cc1
InChIInChI=1S/C13H22OSi2/c1-15(2,3)14-12-6-8-13(9-7-12)16(4)10-5-11-16/h6-9H,5,10-11H2,1-4H3
InChIKeyBPYVLAVQGMSVJI-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-methylsiletan-1-yl)phenoxy]silane?
The IUPAC name of trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane (CID 613785) is trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane.
What is the SMILES notation for trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane?
The canonical SMILES for trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane is C[Si](C)(C)Oc1ccc([Si]2(C)CCC2)cc1.
What is the InChIKey of trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane?
The InChIKey is BPYVLAVQGMSVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi2/c1-15(2,3)14-12-6-8-13(9-7-12)16(4)10-5-11-16/h6-9H,5,10-11H2,1-4H3.
What are the key properties of trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane?
trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane has a molecular weight of 250.49 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(1-methylsiletan-1-yl)phenoxy]silane is sourced from PubChem (CID 613785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).