diethoxy-(4-methylphenyl)-prop-2-enylsilane

C14H22O2Si — CID 54071431

IUPACdiethoxy-(4-methylphenyl)-prop-2-enylsilane
SMILESC=CC[Si](OCC)(OCC)c1ccc(C)cc1
InChIInChI=1S/C14H22O2Si/c1-5-12-17(15-6-2,16-7-3)14-10-8-13(4)9-11-14/h5,8-11H,1,6-7,12H2,2-4H3
InChIKeyMGSPNUBTYDJDAB-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.90
Rot. Bonds7

About diethoxy-(4-methylphenyl)-prop-2-enylsilane

diethoxy-(4-methylphenyl)-prop-2-enylsilane (PubChem CID 54071431) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is diethoxy-(4-methylphenyl)-prop-2-enylsilane.

Molecular Properties

Compound Namediethoxy-(4-methylphenyl)-prop-2-enylsilane
PubChem CID54071431
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Namediethoxy-(4-methylphenyl)-prop-2-enylsilane
SMILESC=CC[Si](OCC)(OCC)c1ccc(C)cc1
InChIInChI=1S/C14H22O2Si/c1-5-12-17(15-6-2,16-7-3)14-10-8-13(4)9-11-14/h5,8-11H,1,6-7,12H2,2-4H3
InChIKeyMGSPNUBTYDJDAB-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(4-methylphenyl)-prop-2-enylsilane?
The IUPAC name of diethoxy-(4-methylphenyl)-prop-2-enylsilane (CID 54071431) is diethoxy-(4-methylphenyl)-prop-2-enylsilane.
What is the SMILES notation for diethoxy-(4-methylphenyl)-prop-2-enylsilane?
The canonical SMILES for diethoxy-(4-methylphenyl)-prop-2-enylsilane is C=CC[Si](OCC)(OCC)c1ccc(C)cc1.
What is the InChIKey of diethoxy-(4-methylphenyl)-prop-2-enylsilane?
The InChIKey is MGSPNUBTYDJDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-5-12-17(15-6-2,16-7-3)14-10-8-13(4)9-11-14/h5,8-11H,1,6-7,12H2,2-4H3.
What are the key properties of diethoxy-(4-methylphenyl)-prop-2-enylsilane?
diethoxy-(4-methylphenyl)-prop-2-enylsilane has a molecular weight of 250.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(4-methylphenyl)-prop-2-enylsilane is sourced from PubChem (CID 54071431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).