(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one

C14H24O2Si — CID 164665587

IUPAC(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one
SMILESC=C[C@@H]1CC(=O)C=C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C14H24O2Si/c1-5-12-11-13(15)9-10-14(12)16-17(6-2,7-3)8-4/h5,9-10,12,14H,1,6-8,11H2,2-4H3/t12-,14-/m1/s1
InChIKeyIBBBGLPKGJWCRA-TZMCWYRMSA-N
MW252.43 g/mol
LogP3.71
Rot. Bonds6

About (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one

(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one (PubChem CID 164665587) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one
PubChem CID164665587
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one
SMILESC=C[C@@H]1CC(=O)C=C[C@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C14H24O2Si/c1-5-12-11-13(15)9-10-14(12)16-17(6-2,7-3)8-4/h5,9-10,12,14H,1,6-8,11H2,2-4H3/t12-,14-/m1/s1
InChIKeyIBBBGLPKGJWCRA-TZMCWYRMSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 10911273
(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 11096317
2-Cyclohexen-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11345167
6-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 10923561
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(2S,3E,6S)-2,6-dimethyl-1-tri(propan-2-yl)silyloxydeca-3,9-dien-5-one
CID 12164694
(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
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-1,7-dien-3-one
CID 52912612
(4S,5S)-5-methyl-4-((trimethylsilyl)oxy)cyclohex-2-en-1-one
CID 86277847
(4R,4aS,9aR)-4-trimethylsilyloxy-1,4,4a,9a-tetrahydrobenzo[7]annulen-5-one
CID 135037472
(4aS,5S,8aS)-6-fluoro-5-trimethylsilyloxy-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
CID 10901619

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one?
The IUPAC name of (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one (CID 164665587) is (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one.
What is the SMILES notation for (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one?
The canonical SMILES for (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one is C=C[C@@H]1CC(=O)C=C[C@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one?
The InChIKey is IBBBGLPKGJWCRA-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-5-12-11-13(15)9-10-14(12)16-17(6-2,7-3)8-4/h5,9-10,12,14H,1,6-8,11H2,2-4H3/t12-,14-/m1/s1.
What are the key properties of (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one?
(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one has a molecular weight of 252.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one is sourced from PubChem (CID 164665587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).