(5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

C20H36O2Si2 — CID 18381212

IUPAC(5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(OC(=O)C2CC3C=CC2C3)C[Si](C)(C)C(C)(C)[Si](C)(C)C1
InChIInChI=1S/C20H36O2Si2/c1-8-20(13-23(4,5)19(2,3)24(6,7)14-20)22-18(21)17-12-15-9-10-16(17)11-15/h9-10,15-17H,8,11-14H2,1-7H3
InChIKeyUZFATLGYSXMSRQ-UHFFFAOYSA-N
MW364.68 g/mol
LogP5.64
Rot. Bonds3

About (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

(5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 18381212) has the molecular formula C20H36O2Si2 and a molecular weight of 364.68 g/mol. Its IUPAC name is (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name(5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID18381212
Molecular FormulaC20H36O2Si2
Molecular Weight364.68 g/mol
Exact Mass364.23
IUPAC Name(5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCC1(OC(=O)C2CC3C=CC2C3)C[Si](C)(C)C(C)(C)[Si](C)(C)C1
InChIInChI=1S/C20H36O2Si2/c1-8-20(13-23(4,5)19(2,3)24(6,7)14-20)22-18(21)17-12-15-9-10-16(17)11-15/h9-10,15-17H,8,11-14H2,1-7H3
InChIKeyUZFATLGYSXMSRQ-UHFFFAOYSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.68
LogP ≤ 55.64
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 (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 18381212) is (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is CCC1(OC(=O)C2CC3C=CC2C3)C[Si](C)(C)C(C)(C)[Si](C)(C)C1.
What is the InChIKey of (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is UZFATLGYSXMSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si2/c1-8-20(13-23(4,5)19(2,3)24(6,7)14-20)22-18(21)17-12-15-9-10-16(17)11-15/h9-10,15-17H,8,11-14H2,1-7H3.
What are the key properties of (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
(5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 364.68 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,1,2,2,3,3-hexamethyl-1,3-disilinan-5-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 18381212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).