ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate

C16H26O2Si2 — CID 10733495

IUPACethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate
SMILESCCOC(=O)CC1C[Si](C)(C)[Si](C)(c2ccccc2)C1
InChIInChI=1S/C16H26O2Si2/c1-5-18-16(17)11-14-12-19(2,3)20(4,13-14)15-9-7-6-8-10-15/h6-10,14H,5,11-13H2,1-4H3
InChIKeyPNXYJBQOFJPZAS-UHFFFAOYSA-N
MW306.55 g/mol
LogP3.34
Rot. Bonds4

About ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate

ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate (PubChem CID 10733495) has the molecular formula C16H26O2Si2 and a molecular weight of 306.55 g/mol. Its IUPAC name is ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate
PubChem CID10733495
Molecular FormulaC16H26O2Si2
Molecular Weight306.55 g/mol
Exact Mass306.15
IUPAC Nameethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate
SMILESCCOC(=O)CC1C[Si](C)(C)[Si](C)(c2ccccc2)C1
InChIInChI=1S/C16H26O2Si2/c1-5-18-16(17)11-14-12-19(2,3)20(4,13-14)15-9-7-6-8-10-15/h6-10,14H,5,11-13H2,1-4H3
InChIKeyPNXYJBQOFJPZAS-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.55
LogP ≤ 53.34
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 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate?
The IUPAC name of ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate (CID 10733495) is ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate?
The canonical SMILES for ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate is CCOC(=O)CC1C[Si](C)(C)[Si](C)(c2ccccc2)C1.
What is the InChIKey of ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate?
The InChIKey is PNXYJBQOFJPZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si2/c1-5-18-16(17)11-14-12-19(2,3)20(4,13-14)15-9-7-6-8-10-15/h6-10,14H,5,11-13H2,1-4H3.
What are the key properties of ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate?
ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate has a molecular weight of 306.55 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,1,2-trimethyl-2-phenyldisilolan-4-yl)acetate is sourced from PubChem (CID 10733495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).