methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate

C10H16O4 — CID 46894836

IUPACmethyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate
SMILESC=C[C@H]1CC[C@H](O)[C@@H](CC(=O)OC)O1
InChIInChI=1S/C10H16O4/c1-3-7-4-5-8(11)9(14-7)6-10(12)13-2/h3,7-9,11H,1,4-6H2,2H3/t7-,8-,9+/m0/s1
InChIKeyHIIJGOFDTJMBDV-XHNCKOQMSA-N
MW200.23 g/mol
LogP0.64
Rot. Bonds3

About methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate

methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate (PubChem CID 46894836) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate
PubChem CID46894836
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate
SMILESC=C[C@H]1CC[C@H](O)[C@@H](CC(=O)OC)O1
InChIInChI=1S/C10H16O4/c1-3-7-4-5-8(11)9(14-7)6-10(12)13-2/h3,7-9,11H,1,4-6H2,2H3/t7-,8-,9+/m0/s1
InChIKeyHIIJGOFDTJMBDV-XHNCKOQMSA-N
XLogP0.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(6S)-6-prop-2-enyloxan-2-yl]acetate
CID 59456505
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
1-[(2R,3S,6S)-3-hydroxy-6-methyloxan-2-yl]propan-2-one
CID 11008386
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
(2S,5S)-5-ethenyloxolan-2-ol
CID 86339358
methyl 4-(4-hydroxy-5-prop-2-enyloxolan-2-yl)butanoate
CID 123664264
methyl 2-[(3S)-3-(2-methoxy-2-oxoethyl)-1,4,8,11-tetraoxacyclotetradec-2-yl]acetate
CID 177423935
methyl 2-hydroxy-5-(2-methoxy-2-oxoethyl)cyclopentane-1-carboxylate
CID 122550677
methyl 2-[(2S,3R,4R,5R)-5-(4-chlorophenyl)-4-ethenyl-3-methyloxolan-2-yl]acetate
CID 177428823
methyl 2-[2-(2,2-dimethoxyethyl)-3-hydroxycyclopentyl]acetate
CID 139644685
methyl 2-[(1R,2R)-7-oxabicyclo[2.2.1]heptan-2-yl]acetate
CID 130359597
methyl 2-[(2S)-6-formyl-4-methylideneoxan-2-yl]acetate
CID 142548480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate (CID 46894836) is methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate is C=C[C@H]1CC[C@H](O)[C@@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate?
The InChIKey is HIIJGOFDTJMBDV-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-7-4-5-8(11)9(14-7)6-10(12)13-2/h3,7-9,11H,1,4-6H2,2H3/t7-,8-,9+/m0/s1.
What are the key properties of methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate?
methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate has a molecular weight of 200.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,6R)-6-ethenyl-3-hydroxyoxan-2-yl]acetate is sourced from PubChem (CID 46894836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).