[(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate

C15H26O5 — CID 53305212

IUPAC[(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate
SMILESC=CC[C@@H]1CC[C@H](OCOC)[C@@H](C[C@H](C)OC(C)=O)O1
InChIInChI=1S/C15H26O5/c1-5-6-13-7-8-14(18-10-17-4)15(20-13)9-11(2)19-12(3)16/h5,11,13-15H,1,6-10H2,2-4H3/t11-,13+,14-,15+/m0/s1
InChIKeyCJCOVAAPANJGCA-PMOUVXMZSA-N
MW286.37 g/mol
LogP2.44
Rot. Bonds8

About [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate

[(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate (PubChem CID 53305212) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate
PubChem CID53305212
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name[(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate
SMILESC=CC[C@@H]1CC[C@H](OCOC)[C@@H](C[C@H](C)OC(C)=O)O1
InChIInChI=1S/C15H26O5/c1-5-6-13-7-8-14(18-10-17-4)15(20-13)9-11(2)19-12(3)16/h5,11,13-15H,1,6-10H2,2-4H3/t11-,13+,14-,15+/m0/s1
InChIKeyCJCOVAAPANJGCA-PMOUVXMZSA-N
XLogP2.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate?
The IUPAC name of [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate (CID 53305212) is [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate?
The canonical SMILES for [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate is C=CC[C@@H]1CC[C@H](OCOC)[C@@H](C[C@H](C)OC(C)=O)O1.
What is the InChIKey of [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate?
The InChIKey is CJCOVAAPANJGCA-PMOUVXMZSA-N. The full InChI is InChI=1S/C15H26O5/c1-5-6-13-7-8-14(18-10-17-4)15(20-13)9-11(2)19-12(3)16/h5,11,13-15H,1,6-10H2,2-4H3/t11-,13+,14-,15+/m0/s1.
What are the key properties of [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate?
[(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate has a molecular weight of 286.37 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-yl] acetate is sourced from PubChem (CID 53305212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).