methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate

C24H30O3Si — CID 102291630

IUPACmethyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)C(CO[Si](C)(C)C(C)(C)C)=C1c1ccccc1
InChIInChI=1S/C24H30O3Si/c1-23(2,3)28(5,6)27-17-20-21(18-13-9-7-10-14-18)24(20,22(25)26-4)19-15-11-8-12-16-19/h7-16H,17H2,1-6H3/t24-/m0/s1
InChIKeyIIHLRWZJZHJRFT-DEOSSOPVSA-N
MW394.59 g/mol
LogP5.59
Rot. Bonds6

About methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate

methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate (PubChem CID 102291630) has the molecular formula C24H30O3Si and a molecular weight of 394.59 g/mol. Its IUPAC name is methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate
PubChem CID102291630
Molecular FormulaC24H30O3Si
Molecular Weight394.59 g/mol
Exact Mass394.20
IUPAC Namemethyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)C(CO[Si](C)(C)C(C)(C)C)=C1c1ccccc1
InChIInChI=1S/C24H30O3Si/c1-23(2,3)28(5,6)27-17-20-21(18-13-9-7-10-14-18)24(20,22(25)26-4)19-15-11-8-12-16-19/h7-16H,17H2,1-6H3/t24-/m0/s1
InChIKeyIIHLRWZJZHJRFT-DEOSSOPVSA-N
XLogP5.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.59
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971
methyl 3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]prop-2-ynoate
CID 67983384
tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
CID 101364464
methyl 5-acetyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylpyridine-2-carboxylate
CID 135068671
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylpyrrole-1-carboxylate
CID 11531177
tetramethyl 2,5-dimethyl-3,6-diphenylcyclohexa-2,5-diene-1,1,4,4-tetracarboxylate
CID 101226398
methyl (1R,2S,4S)-1-(benzenesulfonyl)-2-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-en-2-yl]-4-hydroxycyclopentane-1-carboxylate
CID 53381246
methyl 9-phenyl-10H-acridine-9-carboxylate
CID 13466258
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
CID 70662263
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-phenylimidazol-1-yl)butanoate
CID 11153462
methyl (2S)-2-[[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-1-oxobutan-2-yl]amino]-2-phenylacetate
CID 11259968
methyl (3E)-1-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxycyclotridec-3-ene-1-carboxylate
CID 100966899

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate (CID 102291630) is methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate is COC(=O)[C@@]1(c2ccccc2)C(CO[Si](C)(C)C(C)(C)C)=C1c1ccccc1.
What is the InChIKey of methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate?
The InChIKey is IIHLRWZJZHJRFT-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30O3Si/c1-23(2,3)28(5,6)27-17-20-21(18-13-9-7-10-14-18)24(20,22(25)26-4)19-15-11-8-12-16-19/h7-16H,17H2,1-6H3/t24-/m0/s1.
What are the key properties of methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate?
methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate has a molecular weight of 394.59 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 102291630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).