(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one

C14H24O2Si — CID 11149438

IUPAC(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one
SMILESC=CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C1=O
InChIInChI=1S/C14H24O2Si/c1-8-11-9-12(10(2)13(11)15)16-17(6,7)14(3,4)5/h8-10,12H,1H2,2-7H3/t10-,12+/m0/s1
InChIKeySODNSVKUYFRDQT-CMPLNLGQSA-N
MW252.43 g/mol
LogP3.71
Rot. Bonds3

About (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one

(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one (PubChem CID 11149438) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one
PubChem CID11149438
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one
SMILESC=CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C1=O
InChIInChI=1S/C14H24O2Si/c1-8-11-9-12(10(2)13(11)15)16-17(6,7)14(3,4)5/h8-10,12H,1H2,2-7H3/t10-,12+/m0/s1
InChIKeySODNSVKUYFRDQT-CMPLNLGQSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.71
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

(S)-4-tert-butyldimethylsilyloxy-2-cyclopenten-1-one
CID 10176717
4-((tert-Butyl(dimethyl)silyl)oxy)cyclopent-2-en-1-one
CID 4131699
(4S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-5,5-dimethylcyclopent-2-en-1-one
CID 12964897
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11184283
(4R,5S)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 11581069
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(1Z,3E,5R,6S,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,6,8-trimethylhexadeca-1,3,8,10,15-pentaen-7-one
CID 16757211
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one
CID 91999208

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one (CID 11149438) is (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one is C=CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C1=O.
What is the InChIKey of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one?
The InChIKey is SODNSVKUYFRDQT-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-8-11-9-12(10(2)13(11)15)16-17(6,7)14(3,4)5/h8-10,12H,1H2,2-7H3/t10-,12+/m0/s1.
What are the key properties of (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one?
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one has a molecular weight of 252.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 11149438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).