ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate

C19H34O7Si — CID 44515195

IUPACethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate
SMILESCCOC(=O)/C=C1\[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O7Si/c1-9-22-14(21)10-12-15(24-17-16(12)25-19(5,6)26-17)13(20)11-23-27(7,8)18(2,3)4/h10,13,15-17,20H,9,11H2,1-8H3/b12-10-/t13-,15+,16-,17-/m1/s1
InChIKeyOIRGJABQOPNUCZ-UESWJBRUSA-N
MW402.56 g/mol
LogP2.73
Rot. Bonds6

About ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate

ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate (PubChem CID 44515195) has the molecular formula C19H34O7Si and a molecular weight of 402.56 g/mol. Its IUPAC name is ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate
PubChem CID44515195
Molecular FormulaC19H34O7Si
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Nameethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate
SMILESCCOC(=O)/C=C1\[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O7Si/c1-9-22-14(21)10-12-15(24-17-16(12)25-19(5,6)26-17)13(20)11-23-27(7,8)18(2,3)4/h10,13,15-17,20H,9,11H2,1-8H3/b12-10-/t13-,15+,16-,17-/m1/s1
InChIKeyOIRGJABQOPNUCZ-UESWJBRUSA-N
XLogP2.73
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate (CID 44515195) is ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate is CCOC(=O)/C=C1\[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate?
The InChIKey is OIRGJABQOPNUCZ-UESWJBRUSA-N. The full InChI is InChI=1S/C19H34O7Si/c1-9-22-14(21)10-12-15(24-17-16(12)25-19(5,6)26-17)13(20)11-23-27(7,8)18(2,3)4/h10,13,15-17,20H,9,11H2,1-8H3/b12-10-/t13-,15+,16-,17-/m1/s1.
What are the key properties of ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate?
ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate has a molecular weight of 402.56 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(3aR,5S,6aR)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]acetate is sourced from PubChem (CID 44515195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).