3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione

C10H14O3Si — CID 101036811

IUPAC3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione
SMILESC=C(c1c(OC)c(=O)c1=O)[Si](C)(C)C
InChIInChI=1S/C10H14O3Si/c1-6(14(3,4)5)7-8(11)9(12)10(7)13-2/h1H2,2-5H3
InChIKeyQIXWINPRFYCMSI-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.18
Rot. Bonds3

About 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione

3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione (PubChem CID 101036811) has the molecular formula C10H14O3Si and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione
PubChem CID101036811
Molecular FormulaC10H14O3Si
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione
SMILESC=C(c1c(OC)c(=O)c1=O)[Si](C)(C)C
InChIInChI=1S/C10H14O3Si/c1-6(14(3,4)5)7-8(11)9(12)10(7)13-2/h1H2,2-5H3
InChIKeyQIXWINPRFYCMSI-UHFFFAOYSA-N
XLogP1.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione (CID 101036811) is 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione is C=C(c1c(OC)c(=O)c1=O)[Si](C)(C)C.
What is the InChIKey of 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione?
The InChIKey is QIXWINPRFYCMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3Si/c1-6(14(3,4)5)7-8(11)9(12)10(7)13-2/h1H2,2-5H3.
What are the key properties of 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione?
3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione has a molecular weight of 210.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1-trimethylsilylethenyl)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 101036811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).