[di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate

C13H20O2SSi — CID 155672767

IUPAC[di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate
SMILESC=CC(=O)O[Si](c1cccs1)(C(C)C)C(C)C
InChIInChI=1S/C13H20O2SSi/c1-6-12(14)15-17(10(2)3,11(4)5)13-8-7-9-16-13/h6-11H,1H2,2-5H3
InChIKeyUINVBAHKYQKBES-UHFFFAOYSA-N
MW268.45 g/mol
LogP3.45
Rot. Bonds5

About [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate

[di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate (PubChem CID 155672767) has the molecular formula C13H20O2SSi and a molecular weight of 268.45 g/mol. Its IUPAC name is [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate.

Molecular Properties

Compound Name[di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate
PubChem CID155672767
Molecular FormulaC13H20O2SSi
Molecular Weight268.45 g/mol
Exact Mass268.10
IUPAC Name[di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate
SMILESC=CC(=O)O[Si](c1cccs1)(C(C)C)C(C)C
InChIInChI=1S/C13H20O2SSi/c1-6-12(14)15-17(10(2)3,11(4)5)13-8-7-9-16-13/h6-11H,1H2,2-5H3
InChIKeyUINVBAHKYQKBES-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate?
The IUPAC name of [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate (CID 155672767) is [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate.
What is the SMILES notation for [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate?
The canonical SMILES for [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate is C=CC(=O)O[Si](c1cccs1)(C(C)C)C(C)C.
What is the InChIKey of [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate?
The InChIKey is UINVBAHKYQKBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2SSi/c1-6-12(14)15-17(10(2)3,11(4)5)13-8-7-9-16-13/h6-11H,1H2,2-5H3.
What are the key properties of [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate?
[di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate has a molecular weight of 268.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yl)-thiophen-2-ylsilyl] prop-2-enoate is sourced from PubChem (CID 155672767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).