ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane

C16H28O2Si — CID 66774383

IUPACethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane
SMILESCC[Si](OC(C)(C)C)(OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H28O2Si/c1-8-19(17-15(2,3)4,18-16(5,6)7)14-12-10-9-11-13-14/h9-13H,8H2,1-7H3
InChIKeyRTVKTUCNLAHPES-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.99
Rot. Bonds4

About ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane

ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane (PubChem CID 66774383) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane.

Molecular Properties

Compound Nameethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane
PubChem CID66774383
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nameethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane
SMILESCC[Si](OC(C)(C)C)(OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H28O2Si/c1-8-19(17-15(2,3)4,18-16(5,6)7)14-12-10-9-11-13-14/h9-13H,8H2,1-7H3
InChIKeyRTVKTUCNLAHPES-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane?
The IUPAC name of ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane (CID 66774383) is ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane.
What is the SMILES notation for ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane?
The canonical SMILES for ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane is CC[Si](OC(C)(C)C)(OC(C)(C)C)c1ccccc1.
What is the InChIKey of ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane?
The InChIKey is RTVKTUCNLAHPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-8-19(17-15(2,3)4,18-16(5,6)7)14-12-10-9-11-13-14/h9-13H,8H2,1-7H3.
What are the key properties of ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane?
ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane has a molecular weight of 280.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane is sourced from PubChem (CID 66774383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).