[(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate

C17H26O6 — CID 11110197

IUPAC[(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@@H]1[C@@H](C=C)OC(C)=O
InChIInChI=1S/C17H26O6/c1-8-11(19-10(3)18)13-15(23-17(6,7)21-13)14-12(9-2)20-16(4,5)22-14/h8-9,11-15H,1-2H2,3-7H3/t11-,12+,13-,14-,15-/m1/s1
InChIKeyNQHFVBBLLAKQOZ-XLWJZTARSA-N
MW326.39 g/mol
LogP2.33
Rot. Bonds5

About [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate

[(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate (PubChem CID 11110197) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
PubChem CID11110197
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name[(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@@H]1[C@@H](C=C)OC(C)=O
InChIInChI=1S/C17H26O6/c1-8-11(19-10(3)18)13-15(23-17(6,7)21-13)14-12(9-2)20-16(4,5)22-14/h8-9,11-15H,1-2H2,3-7H3/t11-,12+,13-,14-,15-/m1/s1
InChIKeyNQHFVBBLLAKQOZ-XLWJZTARSA-N
XLogP2.33
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate?
The IUPAC name of [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate (CID 11110197) is [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate.
What is the SMILES notation for [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate?
The canonical SMILES for [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate is C=C[C@@H]1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@@H]1[C@@H](C=C)OC(C)=O.
What is the InChIKey of [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate?
The InChIKey is NQHFVBBLLAKQOZ-XLWJZTARSA-N. The full InChI is InChI=1S/C17H26O6/c1-8-11(19-10(3)18)13-15(23-17(6,7)21-13)14-12(9-2)20-16(4,5)22-14/h8-9,11-15H,1-2H2,3-7H3/t11-,12+,13-,14-,15-/m1/s1.
What are the key properties of [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate?
[(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate has a molecular weight of 326.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(4R,5S)-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate is sourced from PubChem (CID 11110197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).