(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol

C7H12O3 — CID 11240553

IUPAC(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol
SMILESC=C(C)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O3/c1-4(2)7-6(9)5(8)3-10-7/h5-9H,1,3H2,2H3/t5-,6+,7+/m0/s1
InChIKeyKFESSEVWSAQDNC-RRKCRQDMSA-N
MW144.17 g/mol
LogP-0.32
Rot. Bonds1

About (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol

(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol (PubChem CID 11240553) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol
PubChem CID11240553
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol
SMILESC=C(C)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O3/c1-4(2)7-6(9)5(8)3-10-7/h5-9H,1,3H2,2H3/t5-,6+,7+/m0/s1
InChIKeyKFESSEVWSAQDNC-RRKCRQDMSA-N
XLogP-0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-methylideneoxolan-3-ol
CID 89323980
4-Methylenetetrahydrofurfuryl alcohol
CID 129667874
(2R,3S,4E)-4-(fluoromethylidene)-2-(hydroxymethyl)oxolan-3-ol
CID 58308064
(2R,3S,4E,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59263723
(2R,3S,4Z,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59796321
[(2S,4Z,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
CID 68034797
(2R,3R,5S)-2-[(Z)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
CID 88976608
[(2S,4E,5S)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
CID 89043739
(2R,3S,5S)-4-(fluoromethylidene)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 91080855
(2R,3R,5S)-2-(2-fluoroethenyl)-5-methyloxolane-3,4-diol
CID 91477847
(2R,3S)-4-(fluoromethylidene)-2-(hydroxymethyl)oxolan-3-ol
CID 123711593
[(4E)-4-(fluoromethylidene)-5-methyloxolan-2-yl]methanol
CID 143325721

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol (CID 11240553) is (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol is C=C(C)[C@H]1OC[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol?
The InChIKey is KFESSEVWSAQDNC-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H12O3/c1-4(2)7-6(9)5(8)3-10-7/h5-9H,1,3H2,2H3/t5-,6+,7+/m0/s1.
What are the key properties of (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol?
(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol has a molecular weight of 144.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol is sourced from PubChem (CID 11240553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).