methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate

C11H18O4 — CID 24794383

IUPACmethyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate
SMILESC=CC[C@@H]1C[C@H](O)C[C@H](CC(=O)OC)O1
InChIInChI=1S/C11H18O4/c1-3-4-9-5-8(12)6-10(15-9)7-11(13)14-2/h3,8-10,12H,1,4-7H2,2H3/t8-,9+,10+/m0/s1
InChIKeyJZOHPZLQZPKBNJ-IVZWLZJFSA-N
MW214.26 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate

methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate (PubChem CID 24794383) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate
PubChem CID24794383
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate
SMILESC=CC[C@@H]1C[C@H](O)C[C@H](CC(=O)OC)O1
InChIInChI=1S/C11H18O4/c1-3-4-9-5-8(12)6-10(15-9)7-11(13)14-2/h3,8-10,12H,1,4-7H2,2H3/t8-,9+,10+/m0/s1
InChIKeyJZOHPZLQZPKBNJ-IVZWLZJFSA-N
XLogP1.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate with MolForge

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Related Compounds

(1S,5R)-7-[(Z)-2-hydroxyheptadec-8-enyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 122178738
Dendrodolide M
CID 139586435
5R-hydroxyrecifeiolide
CID 146682963
5S-hydroxyrecifeiolide
CID 146682964
2-[(2S,4R,6S)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetic acid
CID 165589844
CID 71814793
CID 71814793
(4R,6R)-6-but-3-enyl-4-hydroxyoxan-2-one
CID 14845708
4-Hydroxy-6-prop-2-enyloxan-2-one
CID 24755103
2-[(2S,6S,8S)-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-2-yl]acetic acid
CID 11021437
(1S,5R,7S)-7-((S)-2-Hydroxypent-4-en-1-yl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 71489708
methyl 2-[(2R,6S)-6-[(2S,4S,6R,7S)-2,4,6-trihydroxy-7-methylnon-8-enyl]oxan-2-yl]acetate
CID 134846020
diethyl 2-[(2R,3S)-2-ethenyl-3-hydroxy-4-methylpentyl]propanedioate
CID 134861208

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate (CID 24794383) is methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate is C=CC[C@@H]1C[C@H](O)C[C@H](CC(=O)OC)O1.
What is the InChIKey of methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate?
The InChIKey is JZOHPZLQZPKBNJ-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-4-9-5-8(12)6-10(15-9)7-11(13)14-2/h3,8-10,12H,1,4-7H2,2H3/t8-,9+,10+/m0/s1.
What are the key properties of methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate?
methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate has a molecular weight of 214.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4S,6R)-4-hydroxy-6-prop-2-enyloxan-2-yl]acetate is sourced from PubChem (CID 24794383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).