methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate

C11H18O3 — CID 11252605

IUPACmethyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate
SMILESC=CC[C@H]1CCC[C@@H](CC(=O)OC)O1
InChIInChI=1S/C11H18O3/c1-3-5-9-6-4-7-10(14-9)8-11(12)13-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyLOEXWZXDXSEVJR-UWVGGRQHSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate

methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate (PubChem CID 11252605) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate
PubChem CID11252605
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate
SMILESC=CC[C@H]1CCC[C@@H](CC(=O)OC)O1
InChIInChI=1S/C11H18O3/c1-3-5-9-6-4-7-10(14-9)8-11(12)13-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyLOEXWZXDXSEVJR-UWVGGRQHSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate (CID 11252605) is methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate is C=CC[C@H]1CCC[C@@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate?
The InChIKey is LOEXWZXDXSEVJR-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-5-9-6-4-7-10(14-9)8-11(12)13-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m0/s1.
What are the key properties of methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate?
methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate has a molecular weight of 198.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate is sourced from PubChem (CID 11252605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).