methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate

C24H30O4Si — CID 54720201

IUPACmethyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(O)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H30O4Si/c1-24(2,3)29(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-18-15-16-22(25)21(17-18)23(26)27-4/h5-14,18,25H,15-17H2,1-4H3/t18-/m0/s1
InChIKeyNTECEDXIWUUGGL-SFHVURJKSA-N
MW410.59 g/mol
LogP4.10
Rot. Bonds5

About methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate

methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate (PubChem CID 54720201) has the molecular formula C24H30O4Si and a molecular weight of 410.59 g/mol. Its IUPAC name is methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate
PubChem CID54720201
Molecular FormulaC24H30O4Si
Molecular Weight410.59 g/mol
Exact Mass410.19
IUPAC Namemethyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate
SMILESCOC(=O)C1=C(O)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C24H30O4Si/c1-24(2,3)29(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-18-15-16-22(25)21(17-18)23(26)27-4/h5-14,18,25H,15-17H2,1-4H3/t18-/m0/s1
InChIKeyNTECEDXIWUUGGL-SFHVURJKSA-N
XLogP4.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
tert-butyl 5-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
CID 131747989
methyl (4S,5S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(dimethylamino)cyclopentene-1-carboxylate
CID 23256423
methyl 5-[tert-butyl(diphenyl)silyl]oxy-3,3a,4,5,6,6a-hexahydropentalene-1-carboxylate
CID 171612451
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate?
The IUPAC name of methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate (CID 54720201) is methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate.
What is the SMILES notation for methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate?
The canonical SMILES for methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate is COC(=O)C1=C(O)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate?
The InChIKey is NTECEDXIWUUGGL-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30O4Si/c1-24(2,3)29(19-11-7-5-8-12-19,20-13-9-6-10-14-20)28-18-15-16-22(25)21(17-18)23(26)27-4/h5-14,18,25H,15-17H2,1-4H3/t18-/m0/s1.
What are the key properties of methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate?
methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate has a molecular weight of 410.59 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxycyclohexene-1-carboxylate is sourced from PubChem (CID 54720201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).