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

C20H36O2Si — CID 11551778

IUPAC(4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESC=C[C@@]1(OCC)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)[C@H]1C
InChIInChI=1S/C20H36O2Si/c1-11-20(22-12-2)17(10)16(9)18(19(20)21)23(13(3)4,14(5)6)15(7)8/h11,13-15,17H,1,12H2,2-10H3/t17-,20+/m1/s1
InChIKeyARZCYEWLAUFTFR-XLIONFOSSA-N
MW336.59 g/mol
LogP5.70
Rot. Bonds7

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

(4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (PubChem CID 11551778) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is (4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
PubChem CID11551778
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name(4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESC=C[C@@]1(OCC)C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)[C@H]1C
InChIInChI=1S/C20H36O2Si/c1-11-20(22-12-2)17(10)16(9)18(19(20)21)23(13(3)4,14(5)6)15(7)8/h11,13-15,17H,1,12H2,2-10H3/t17-,20+/m1/s1
InChIKeyARZCYEWLAUFTFR-XLIONFOSSA-N
XLogP5.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.70
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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Related Compounds

(4R,5R)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919358
(4R,5S)-5-ethoxy-3,4-dimethyl-5-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919359
(4R,5R)-5-ethoxy-3,4-dimethyl-5-[(E)-prop-1-enyl]-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919360
(2E,6E)-5-[(2-methylpropan-2-yl)oxy]-6-(trimethylsilylmethylidene)nona-2,8-dien-4-one
CID 10469740
(4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 11508524

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (CID 11551778) is (4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is C=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,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The InChIKey is ARZCYEWLAUFTFR-XLIONFOSSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-11-20(22-12-2)17(10)16(9)18(19(20)21)23(13(3)4,14(5)6)15(7)8/h11,13-15,17H,1,12H2,2-10H3/t17-,20+/m1/s1.
What are the key properties of (4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
(4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one has a molecular weight of 336.59 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-ethenyl-5-ethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is sourced from PubChem (CID 11551778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).