methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate

C17H30O6Si — CID 10959296

IUPACmethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
SMILESCOC(=O)/C=C\[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C=O
InChIInChI=1S/C17H30O6Si/c1-16(2,3)24(7,8)23-12(9-10-14(19)20-6)15-13(11-18)21-17(4,5)22-15/h9-13,15H,1-8H3/b10-9-/t12-,13-,15+/m1/s1
InChIKeySCSZBSWVDVPPIA-PQMBVFIOSA-N
MW358.51 g/mol
LogP2.83
Rot. Bonds6

About methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate

methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate (PubChem CID 10959296) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
PubChem CID10959296
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Namemethyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
SMILESCOC(=O)/C=C\[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C=O
InChIInChI=1S/C17H30O6Si/c1-16(2,3)24(7,8)23-12(9-10-14(19)20-6)15-13(11-18)21-17(4,5)22-15/h9-13,15H,1-8H3/b10-9-/t12-,13-,15+/m1/s1
InChIKeySCSZBSWVDVPPIA-PQMBVFIOSA-N
XLogP2.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

(3aR,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7,7a-dihydro-3aH-1,3-benzodioxol-4-one
CID 14679840
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 101472099
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-oxocyclohex-2-en-1-yl] acetate
CID 102288158
(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7,7a-dihydro-3aH-1,3-benzodioxol-4-one
CID 10913556
(3aR,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7,7a-dihydro-3aH-1,3-benzodioxol-4-one
CID 10447431
(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,7a-dihydro-3aH-1,3-benzodioxol-5-one
CID 11120083
(1S,5S,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 11129388
(1R,5R,7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 11184809
ethyl (Z)-3-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11222531
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11426573
ethyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1,3-dioxolan-2-yl]propanoate
CID 21602218
methyl 2-[(2S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2H-pyran-6-yl]acetate
CID 50993174

Frequently Asked Questions

What is the IUPAC name of methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate?
The IUPAC name of methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate (CID 10959296) is methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate.
What is the SMILES notation for methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate?
The canonical SMILES for methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate is COC(=O)/C=C\[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@@H]1C=O.
What is the InChIKey of methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate?
The InChIKey is SCSZBSWVDVPPIA-PQMBVFIOSA-N. The full InChI is InChI=1S/C17H30O6Si/c1-16(2,3)24(7,8)23-12(9-10-14(19)20-6)15-13(11-18)21-17(4,5)22-15/h9-13,15H,1-8H3/b10-9-/t12-,13-,15+/m1/s1.
What are the key properties of methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate?
methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate has a molecular weight of 358.51 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate is sourced from PubChem (CID 10959296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).