[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate

C22H44O5Si2 — CID 11453595

IUPAC[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate
SMILESCCOC(=O)OC1C=CC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H44O5Si2/c1-12-24-19(23)27-18-13-14-22(15-18,16-25-28(8,9)20(2,3)4)17-26-29(10,11)21(5,6)7/h13-14,18H,12,15-17H2,1-11H3
InChIKeyOFKGERIEASGGQB-UHFFFAOYSA-N
MW444.76 g/mol
LogP6.52
Rot. Bonds8

About [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate

[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate (PubChem CID 11453595) has the molecular formula C22H44O5Si2 and a molecular weight of 444.76 g/mol. Its IUPAC name is [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate.

Molecular Properties

Compound Name[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate
PubChem CID11453595
Molecular FormulaC22H44O5Si2
Molecular Weight444.76 g/mol
Exact Mass444.27
IUPAC Name[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate
SMILESCCOC(=O)OC1C=CC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C22H44O5Si2/c1-12-24-19(23)27-18-13-14-22(15-18,16-25-28(8,9)20(2,3)4)17-26-29(10,11)21(5,6)7/h13-14,18H,12,15-17H2,1-11H3
InChIKeyOFKGERIEASGGQB-UHFFFAOYSA-N
XLogP6.52
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate?
The IUPAC name of [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate (CID 11453595) is [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate.
What is the SMILES notation for [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate?
The canonical SMILES for [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate is CCOC(=O)OC1C=CC(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate?
The InChIKey is OFKGERIEASGGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O5Si2/c1-12-24-19(23)27-18-13-14-22(15-18,16-25-28(8,9)20(2,3)4)17-26-29(10,11)21(5,6)7/h13-14,18H,12,15-17H2,1-11H3.
What are the key properties of [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate?
[4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate has a molecular weight of 444.76 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] ethyl carbonate is sourced from PubChem (CID 11453595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).