2-ethyl-5-prop-2-enyloxolane-3,4-diol

C9H16O3 — CID 18716211

IUPAC2-ethyl-5-prop-2-enyloxolane-3,4-diol
SMILESC=CCC1OC(CC)C(O)C1O
InChIInChI=1S/C9H16O3/c1-3-5-7-9(11)8(10)6(4-2)12-7/h3,6-11H,1,4-5H2,2H3
InChIKeyKLXAROXUJKHGBM-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.46
Rot. Bonds3

About 2-ethyl-5-prop-2-enyloxolane-3,4-diol

2-ethyl-5-prop-2-enyloxolane-3,4-diol (PubChem CID 18716211) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-ethyl-5-prop-2-enyloxolane-3,4-diol.

Molecular Properties

Compound Name2-ethyl-5-prop-2-enyloxolane-3,4-diol
PubChem CID18716211
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-ethyl-5-prop-2-enyloxolane-3,4-diol
SMILESC=CCC1OC(CC)C(O)C1O
InChIInChI=1S/C9H16O3/c1-3-5-7-9(11)8(10)6(4-2)12-7/h3,6-11H,1,4-5H2,2H3
InChIKeyKLXAROXUJKHGBM-UHFFFAOYSA-N
XLogP0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.46
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

Cobra-1
CID 9819996
(2s,3s,5s)-5-[(1s)-1-Hydroxydec-9-en-1-yl]-2-pentyltetrahydrofuran-3-ol
CID 11077855
(6s,7s,9r,10r)-6,9-Epoxynonadec-18-ene-7,10-diol
CID 11120550
5-(1-Hydroxy-9-decenyl)-2-pentyltetrahydro-3-furanol
CID 494498
[(2R,5R)-5-prop-2-enyloxolan-2-yl]methanol
CID 44248967
[(2S,5S)-5-prop-2-enyloxolan-2-yl]methanol
CID 131018773
(2S)-1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]but-3-en-2-ol
CID 132534596
(2S)-1-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]but-3-en-2-ol
CID 132534597
Non-8-ene-3,4-diol
CID 13635842
(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol
CID 167099168
[3-(Hex-5-EN-1-YL)oxiran-2-YL]methanol
CID 14152344
(2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol
CID 131839667

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-prop-2-enyloxolane-3,4-diol?
The IUPAC name of 2-ethyl-5-prop-2-enyloxolane-3,4-diol (CID 18716211) is 2-ethyl-5-prop-2-enyloxolane-3,4-diol.
What is the SMILES notation for 2-ethyl-5-prop-2-enyloxolane-3,4-diol?
The canonical SMILES for 2-ethyl-5-prop-2-enyloxolane-3,4-diol is C=CCC1OC(CC)C(O)C1O.
What is the InChIKey of 2-ethyl-5-prop-2-enyloxolane-3,4-diol?
The InChIKey is KLXAROXUJKHGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-7-9(11)8(10)6(4-2)12-7/h3,6-11H,1,4-5H2,2H3.
What are the key properties of 2-ethyl-5-prop-2-enyloxolane-3,4-diol?
2-ethyl-5-prop-2-enyloxolane-3,4-diol has a molecular weight of 172.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-prop-2-enyloxolane-3,4-diol is sourced from PubChem (CID 18716211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).