diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate

C25H42O5Si — CID 11190182

IUPACdiethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate
SMILESC#CCC(C(=O)OCC)(C(=O)OCC)C1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=C1C
InChIInChI=1S/C25H42O5Si/c1-11-16-25(23(26)28-12-2,24(27)29-13-3)21-14-15-22(20(21)10)30-31(17(4)5,18(6)7)19(8)9/h1,17-19,21H,12-16H2,2-10H3
InChIKeyOJINFBOHYOCIJF-UHFFFAOYSA-N
MW450.69 g/mol
LogP6.00
Rot. Bonds11

About diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate

diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate (PubChem CID 11190182) has the molecular formula C25H42O5Si and a molecular weight of 450.69 g/mol. Its IUPAC name is diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate.

Molecular Properties

Compound Namediethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate
PubChem CID11190182
Molecular FormulaC25H42O5Si
Molecular Weight450.69 g/mol
Exact Mass450.28
IUPAC Namediethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate
SMILESC#CCC(C(=O)OCC)(C(=O)OCC)C1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=C1C
InChIInChI=1S/C25H42O5Si/c1-11-16-25(23(26)28-12-2,24(27)29-13-3)21-14-15-22(20(21)10)30-31(17(4)5,18(6)7)19(8)9/h1,17-19,21H,12-16H2,2-10H3
InChIKeyOJINFBOHYOCIJF-UHFFFAOYSA-N
XLogP6.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.69
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate?
The IUPAC name of diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate (CID 11190182) is diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate.
What is the SMILES notation for diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate?
The canonical SMILES for diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate is C#CCC(C(=O)OCC)(C(=O)OCC)C1CCC(O[Si](C(C)C)(C(C)C)C(C)C)=C1C.
What is the InChIKey of diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate?
The InChIKey is OJINFBOHYOCIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O5Si/c1-11-16-25(23(26)28-12-2,24(27)29-13-3)21-14-15-22(20(21)10)30-31(17(4)5,18(6)7)19(8)9/h1,17-19,21H,12-16H2,2-10H3.
What are the key properties of diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate?
diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate has a molecular weight of 450.69 g/mol, XLogP of 6.00, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-methyl-3-tri(propan-2-yl)silyloxycyclopent-2-en-1-yl]-2-prop-2-ynylpropanedioate is sourced from PubChem (CID 11190182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).