ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane

C20H26O2Si — CID 89242142

IUPACethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane
SMILESC=CC[Si](CC=C)(OCC)c1ccc(C#CC2CCCO2)cc1
InChIInChI=1S/C20H26O2Si/c1-4-16-23(17-5-2,22-6-3)20-13-10-18(11-14-20)9-12-19-8-7-15-21-19/h4-5,10-11,13-14,19H,1-2,6-8,15-17H2,3H3
InChIKeyVDRMGTOYEIHJEU-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.78
Rot. Bonds7

About ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane

ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane (PubChem CID 89242142) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane.

Molecular Properties

Compound Nameethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane
PubChem CID89242142
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Nameethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane
SMILESC=CC[Si](CC=C)(OCC)c1ccc(C#CC2CCCO2)cc1
InChIInChI=1S/C20H26O2Si/c1-4-16-23(17-5-2,22-6-3)20-13-10-18(11-14-20)9-12-19-8-7-15-21-19/h4-5,10-11,13-14,19H,1-2,6-8,15-17H2,3H3
InChIKeyVDRMGTOYEIHJEU-UHFFFAOYSA-N
XLogP3.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.78
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane?
The IUPAC name of ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane (CID 89242142) is ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane.
What is the SMILES notation for ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane?
The canonical SMILES for ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane is C=CC[Si](CC=C)(OCC)c1ccc(C#CC2CCCO2)cc1.
What is the InChIKey of ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane?
The InChIKey is VDRMGTOYEIHJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-4-16-23(17-5-2,22-6-3)20-13-10-18(11-14-20)9-12-19-8-7-15-21-19/h4-5,10-11,13-14,19H,1-2,6-8,15-17H2,3H3.
What are the key properties of ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane?
ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane has a molecular weight of 326.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[4-[2-(oxolan-2-yl)ethynyl]phenyl]-bis(prop-2-enyl)silane is sourced from PubChem (CID 89242142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).