(4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one

C21H36O2Si — CID 11508524

IUPAC(4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCC#C[C@@]1(OCC)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)[C@H]1C
InChIInChI=1S/C21H36O2Si/c1-11-13-21(23-12-2)18(10)17(9)19(20(21)22)24(14(3)4,15(5)6)16(7)8/h14-16,18H,12H2,1-10H3/t18-,21+/m1/s1
InChIKeyOKMYTFNXTKVRIA-NQIIRXRSSA-N
MW348.60 g/mol
LogP5.54
Rot. Bonds6

About (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one

(4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (PubChem CID 11508524) has the molecular formula C21H36O2Si and a molecular weight of 348.60 g/mol. Its IUPAC name is (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
PubChem CID11508524
Molecular FormulaC21H36O2Si
Molecular Weight348.60 g/mol
Exact Mass348.25
IUPAC Name(4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCC#C[C@@]1(OCC)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)[C@H]1C
InChIInChI=1S/C21H36O2Si/c1-11-13-21(23-12-2)18(10)17(9)19(20(21)22)24(14(3)4,15(5)6)16(7)8/h14-16,18H,12H2,1-10H3/t18-,21+/m1/s1
InChIKeyOKMYTFNXTKVRIA-NQIIRXRSSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 11551778
(4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919155
(4R,5R)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919192
(4R,5R)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919358

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The IUPAC name of (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (CID 11508524) is (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is CC#C[C@@]1(OCC)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)[C@H]1C.
What is the InChIKey of (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The InChIKey is OKMYTFNXTKVRIA-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H36O2Si/c1-11-13-21(23-12-2)18(10)17(9)19(20(21)22)24(14(3)4,15(5)6)16(7)8/h14-16,18H,12H2,1-10H3/t18-,21+/m1/s1.
What are the key properties of (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
(4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one has a molecular weight of 348.60 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is sourced from PubChem (CID 11508524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).