methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate

C13H24O4Si — CID 101476820

IUPACmethyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C(=O)OC)CO1
InChIInChI=1S/C13H24O4Si/c1-8-10(13(9-16-13)11(14)15-5)17-18(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3/t10-,13-/m1/s1
InChIKeyPKBBKDOHQYEVMV-ZWNOBZJWSA-N
MW272.42 g/mol
LogP2.50
Rot. Bonds5

About methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate

methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate (PubChem CID 101476820) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate
PubChem CID101476820
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namemethyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C(=O)OC)CO1
InChIInChI=1S/C13H24O4Si/c1-8-10(13(9-16-13)11(14)15-5)17-18(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3/t10-,13-/m1/s1
InChIKeyPKBBKDOHQYEVMV-ZWNOBZJWSA-N
XLogP2.50
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate
CID 11199689
methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyloxirane-2-carboxylate
CID 101267813

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate?
The IUPAC name of methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate (CID 101476820) is methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate?
The canonical SMILES for methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]1(C(=O)OC)CO1.
What is the InChIKey of methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate?
The InChIKey is PKBBKDOHQYEVMV-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-8-10(13(9-16-13)11(14)15-5)17-18(6,7)12(2,3)4/h8,10H,1,9H2,2-7H3/t10-,13-/m1/s1.
What are the key properties of methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate?
methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate has a molecular weight of 272.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate is sourced from PubChem (CID 101476820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).