methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate

C17H30O6Si — CID 11164220

IUPACmethyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate
SMILESCOC(=O)/C=C\[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O6Si/c1-16(2,3)24(7,8)23-13-11(9-10-12(18)19-6)20-15-14(13)21-17(4,5)22-15/h9-11,13-15H,1-8H3/b10-9-/t11-,13-,14-,15-/m1/s1
InChIKeyWWASIVMHQIPJAT-AFPLGWAESA-N
MW358.51 g/mol
LogP2.98
Rot. Bonds4

About methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate

methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate (PubChem CID 11164220) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate
PubChem CID11164220
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Namemethyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate
SMILESCOC(=O)/C=C\[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O6Si/c1-16(2,3)24(7,8)23-13-11(9-10-12(18)19-6)20-15-14(13)21-17(4,5)22-15/h9-11,13-15H,1-8H3/b10-9-/t11-,13-,14-,15-/m1/s1
InChIKeyWWASIVMHQIPJAT-AFPLGWAESA-N
XLogP2.98
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.98
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 (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate (CID 11164220) is methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate is COC(=O)/C=C\[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate?
The InChIKey is WWASIVMHQIPJAT-AFPLGWAESA-N. The full InChI is InChI=1S/C17H30O6Si/c1-16(2,3)24(7,8)23-13-11(9-10-12(18)19-6)20-15-14(13)21-17(4,5)22-15/h9-11,13-15H,1-8H3/b10-9-/t11-,13-,14-,15-/m1/s1.
What are the key properties of methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate?
methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate has a molecular weight of 358.51 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[(3aR,5R,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoate is sourced from PubChem (CID 11164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).