(2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one

C10H16O4 — CID 166933113

IUPAC(2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one
SMILESC=CC[C@@H]1CCC(=O)[C@@H]([C@@H](O)CO)O1
InChIInChI=1S/C10H16O4/c1-2-3-7-4-5-8(12)10(14-7)9(13)6-11/h2,7,9-11,13H,1,3-6H2/t7-,9+,10+/m1/s1
InChIKeyJIBMGIYDXSLOKN-JEZHCXPESA-N
MW200.23 g/mol
LogP0.03
Rot. Bonds4

About (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one

(2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one (PubChem CID 166933113) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one.

Molecular Properties

Compound Name(2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one
PubChem CID166933113
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one
SMILESC=CC[C@@H]1CCC(=O)[C@@H]([C@@H](O)CO)O1
InChIInChI=1S/C10H16O4/c1-2-3-7-4-5-8(12)10(14-7)9(13)6-11/h2,7,9-11,13H,1,3-6H2/t7-,9+,10+/m1/s1
InChIKeyJIBMGIYDXSLOKN-JEZHCXPESA-N
XLogP0.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-6-methyl-2-prop-2-enyloxan-3-one
CID 11126475
[(2S,5R)-5-prop-2-enyloxolan-2-yl]methanol
CID 25138505
2-(hydroxymethyl)-4-prop-2-enylcyclohexan-1-one
CID 70414469
5-(2-methylpropyl)-2-prop-2-enyloxolan-3-one
CID 135042256
(7R)-7-prop-2-enyloxepan-2-one
CID 12914542
6-prop-2-enylbicyclo[3.1.0]hexan-2-one
CID 69069839
[2-acetyloxy-3-[5-[(S)-acetyloxy-[(2R)-3-oxo-6-prop-2-enyloxan-2-yl]methyl]-4-hydroxy-3-phenylmethoxyoxolan-2-yl]-2-methylpropyl] acetate
CID 154994060
[(2S)-2-acetyloxy-3-[5-[(S)-acetyloxy-[(2R,6S)-3-oxo-6-prop-2-enyloxan-2-yl]methyl]-4-hydroxy-3-phenylmethoxyoxolan-2-yl]-2-methylpropyl] acetate
CID 146409059
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one
CID 10585525
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;prop-2-enoic acid
CID 174859483
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;molecular chlorine
CID 141150592
(5R)-5-[(2R)-3-hydroxy-2-methoxypropyl]oxolan-2-one
CID 23238602

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one?
The IUPAC name of (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one (CID 166933113) is (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one.
What is the SMILES notation for (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one?
The canonical SMILES for (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one is C=CC[C@@H]1CCC(=O)[C@@H]([C@@H](O)CO)O1.
What is the InChIKey of (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one?
The InChIKey is JIBMGIYDXSLOKN-JEZHCXPESA-N. The full InChI is InChI=1S/C10H16O4/c1-2-3-7-4-5-8(12)10(14-7)9(13)6-11/h2,7,9-11,13H,1,3-6H2/t7-,9+,10+/m1/s1.
What are the key properties of (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one?
(2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one has a molecular weight of 200.23 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-[(1S)-1,2-dihydroxyethyl]-6-prop-2-enyloxan-3-one is sourced from PubChem (CID 166933113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).