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

C17H32O2Si — CID 134919155

IUPAC(4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCO[C@@H]1C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)[C@H]1C
InChIInChI=1S/C17H32O2Si/c1-10(2)20(11(3)4,12(5)6)17-14(8)13(7)16(19-9)15(17)18/h10-13,16H,1-9H3/t13-,16+/m1/s1
InChIKeyHMLYDVFCSSANLG-CJNGLKHVSA-N
MW296.53 g/mol
LogP4.75
Rot. Bonds5

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

(4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (PubChem CID 134919155) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
PubChem CID134919155
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCO[C@@H]1C(=O)C([Si](C(C)C)(C(C)C)C(C)C)=C(C)[C@H]1C
InChIInChI=1S/C17H32O2Si/c1-10(2)20(11(3)4,12(5)6)17-14(8)13(7)16(19-9)15(17)18/h10-13,16H,1-9H3/t13-,16+/m1/s1
InChIKeyHMLYDVFCSSANLG-CJNGLKHVSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 12169197
5,5-Dimethoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 101231320
(4R,5R)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 134919192
(4R,5R)-5-ethoxy-3,4-dimethyl-5-prop-1-ynyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
CID 11508524
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 16081821

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (CID 134919155) is (4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is CO[C@@H]1C(=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-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The InChIKey is HMLYDVFCSSANLG-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-10(2)20(11(3)4,12(5)6)17-14(8)13(7)16(19-9)15(17)18/h10-13,16H,1-9H3/t13-,16+/m1/s1.
What are the key properties of (4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
(4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one has a molecular weight of 296.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methoxy-3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is sourced from PubChem (CID 134919155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).