[(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate

C17H24O7 — CID 11405068

IUPAC[(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate
SMILESC=CCO[C@]1(CC=C)C(=O)O[C@H]([C@@H]2COC(C)(C)O2)[C@@H]1OC(C)=O
InChIInChI=1S/C17H24O7/c1-6-8-17(20-9-7-2)14(22-11(3)18)13(23-15(17)19)12-10-21-16(4,5)24-12/h6-7,12-14H,1-2,8-10H2,3-5H3/t12-,13+,14-,17-/m0/s1
InChIKeyOIVIRAFLWKJVQB-LOUJCGABSA-N
MW340.37 g/mol
LogP1.51
Rot. Bonds7

About [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate

[(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate (PubChem CID 11405068) has the molecular formula C17H24O7 and a molecular weight of 340.37 g/mol. Its IUPAC name is [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate
PubChem CID11405068
Molecular FormulaC17H24O7
Molecular Weight340.37 g/mol
Exact Mass340.15
IUPAC Name[(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate
SMILESC=CCO[C@]1(CC=C)C(=O)O[C@H]([C@@H]2COC(C)(C)O2)[C@@H]1OC(C)=O
InChIInChI=1S/C17H24O7/c1-6-8-17(20-9-7-2)14(22-11(3)18)13(23-15(17)19)12-10-21-16(4,5)24-12/h6-7,12-14H,1-2,8-10H2,3-5H3/t12-,13+,14-,17-/m0/s1
InChIKeyOIVIRAFLWKJVQB-LOUJCGABSA-N
XLogP1.51
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate?
The IUPAC name of [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate (CID 11405068) is [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate is C=CCO[C@]1(CC=C)C(=O)O[C@H]([C@@H]2COC(C)(C)O2)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate?
The InChIKey is OIVIRAFLWKJVQB-LOUJCGABSA-N. The full InChI is InChI=1S/C17H24O7/c1-6-8-17(20-9-7-2)14(22-11(3)18)13(23-15(17)19)12-10-21-16(4,5)24-12/h6-7,12-14H,1-2,8-10H2,3-5H3/t12-,13+,14-,17-/m0/s1.
What are the key properties of [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate?
[(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate has a molecular weight of 340.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxo-4-prop-2-enoxy-4-prop-2-enyloxolan-3-yl] acetate is sourced from PubChem (CID 11405068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).