methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate

C22H44O6Si2 — CID 23240884

IUPACmethyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate
SMILESCOC(=O)/C=C(\C)C1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H44O6Si2/c1-16(13-19(23)24-8)20-27-17(14-25-29(9,10)21(2,3)4)18(28-20)15-26-30(11,12)22(5,6)7/h13,17-18,20H,14-15H2,1-12H3/b16-13+/t17-,18-/m1/s1
InChIKeyCVRGAJWEDUOYFA-PGSVNHOBSA-N
MW460.76 g/mol
LogP5.26
Rot. Bonds8

About methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate

methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate (PubChem CID 23240884) has the molecular formula C22H44O6Si2 and a molecular weight of 460.76 g/mol. Its IUPAC name is methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate
PubChem CID23240884
Molecular FormulaC22H44O6Si2
Molecular Weight460.76 g/mol
Exact Mass460.27
IUPAC Namemethyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate
SMILESCOC(=O)/C=C(\C)C1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H44O6Si2/c1-16(13-19(23)24-8)20-27-17(14-25-29(9,10)21(2,3)4)18(28-20)15-26-30(11,12)22(5,6)7/h13,17-18,20H,14-15H2,1-12H3/b16-13+/t17-,18-/m1/s1
InChIKeyCVRGAJWEDUOYFA-PGSVNHOBSA-N
XLogP5.26
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.76
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate?
The IUPAC name of methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate (CID 23240884) is methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate.
What is the SMILES notation for methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate?
The canonical SMILES for methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate is COC(=O)/C=C(\C)C1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate?
The InChIKey is CVRGAJWEDUOYFA-PGSVNHOBSA-N. The full InChI is InChI=1S/C22H44O6Si2/c1-16(13-19(23)24-8)20-27-17(14-25-29(9,10)21(2,3)4)18(28-20)15-26-30(11,12)22(5,6)7/h13,17-18,20H,14-15H2,1-12H3/b16-13+/t17-,18-/m1/s1.
What are the key properties of methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate?
methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate has a molecular weight of 460.76 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]but-2-enoate is sourced from PubChem (CID 23240884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).