prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate

C27H34O4Si — CID 24827824

IUPACprop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCCC1=O
InChIInChI=1S/C27H34O4Si/c1-5-20-30-25(29)27(19-13-12-18-24(27)28)21-31-32(26(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h5-11,14-17H,1,12-13,18-21H2,2-4H3
InChIKeyRFRTUTCDPSCKDR-UHFFFAOYSA-N
MW450.65 g/mol
LogP4.42
Rot. Bonds8

About prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate

prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate (PubChem CID 24827824) has the molecular formula C27H34O4Si and a molecular weight of 450.65 g/mol. Its IUPAC name is prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate
PubChem CID24827824
Molecular FormulaC27H34O4Si
Molecular Weight450.65 g/mol
Exact Mass450.22
IUPAC Nameprop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCCC1=O
InChIInChI=1S/C27H34O4Si/c1-5-20-30-25(29)27(19-13-12-18-24(27)28)21-31-32(26(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h5-11,14-17H,1,12-13,18-21H2,2-4H3
InChIKeyRFRTUTCDPSCKDR-UHFFFAOYSA-N
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
(2-oxo-1-prop-2-enoxycarbonylcyclopentyl)methyl benzoate
CID 135048027
prop-2-enyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 12619400
benzyl (1S)-2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 15315569
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767
prop-2-enyl (1S,2S,3aR,6aS)-1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(methoxymethoxy)-3,3a,4,6a-tetrahydro-2H-pentalene-1-carboxylate
CID 101460434
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845
prop-2-enyl 1-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxocycloheptane-1-carboxylate
CID 121408911
prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate
CID 102171832
ethyl (1S)-2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 11074660

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate?
The IUPAC name of prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate (CID 24827824) is prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate.
What is the SMILES notation for prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate?
The canonical SMILES for prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate is C=CCOC(=O)C1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCCCC1=O.
What is the InChIKey of prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate?
The InChIKey is RFRTUTCDPSCKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O4Si/c1-5-20-30-25(29)27(19-13-12-18-24(27)28)21-31-32(26(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h5-11,14-17H,1,12-13,18-21H2,2-4H3.
What are the key properties of prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate?
prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate has a molecular weight of 450.65 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxocyclohexane-1-carboxylate is sourced from PubChem (CID 24827824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).