(2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol

C11H20O4 — CID 163137514

IUPAC(2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol
SMILESC/C=C/[C@H]1O[C@@H](CCC)[C@H](O)[C@]1(O)CO
InChIInChI=1S/C11H20O4/c1-3-5-8-10(13)11(14,7-12)9(15-8)6-4-2/h4,6,8-10,12-14H,3,5,7H2,1-2H3/b6-4+/t8-,9+,10-,11-/m0/s1
InChIKeyINOITUDKSXYOFJ-CQEMCWMHSA-N
MW216.28 g/mol
LogP0.21
Rot. Bonds4

About (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol

(2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol (PubChem CID 163137514) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol
PubChem CID163137514
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol
SMILESC/C=C/[C@H]1O[C@@H](CCC)[C@H](O)[C@]1(O)CO
InChIInChI=1S/C11H20O4/c1-3-5-8-10(13)11(14,7-12)9(15-8)6-4-2/h4,6,8-10,12-14H,3,5,7H2,1-2H3/b6-4+/t8-,9+,10-,11-/m0/s1
InChIKeyINOITUDKSXYOFJ-CQEMCWMHSA-N
XLogP0.21
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol with MolForge

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Related Compounds

(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(2S,5R)-3-ethyl-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 88980068
acetic acid;[(2S,3S)-3-propyloxiran-2-yl]methanol
CID 71423453
(3R)-3-propyloxirane-2-carboxylic acid
CID 54567542
2-tert-butyl-3-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59796268
[(4S,5S)-2,2-dimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methanol
CID 15283501
(2S,3R,4S,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol
CID 101472983
(2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol
CID 162963121
[(1R,2R,4S,5R)-5-[(S)-(4-methylphenyl)sulfinyl]-4-[(E)-prop-1-enyl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10589896
(2S,4R,5R)-5-ethyl-2-[(Z)-prop-1-enyl]-4-propyl-1,3-dioxane
CID 94908993

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol (CID 163137514) is (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol is C/C=C/[C@H]1O[C@@H](CCC)[C@H](O)[C@]1(O)CO.
What is the InChIKey of (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol?
The InChIKey is INOITUDKSXYOFJ-CQEMCWMHSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-5-8-10(13)11(14,7-12)9(15-8)6-4-2/h4,6,8-10,12-14H,3,5,7H2,1-2H3/b6-4+/t8-,9+,10-,11-/m0/s1.
What are the key properties of (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol?
(2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol has a molecular weight of 216.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol is sourced from PubChem (CID 163137514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).