(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol

C10H18O3 — CID 167099168

IUPAC(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol
SMILESC=CC[C@@H]1O[C@@H](CCCO)C[C@H]1O
InChIInChI=1S/C10H18O3/c1-2-4-10-9(12)7-8(13-10)5-3-6-11/h2,8-12H,1,3-7H2/t8-,9+,10-/m0/s1
InChIKeyOCFLTYCWHBFNLI-AEJSXWLSSA-N
MW186.25 g/mol
LogP0.85
Rot. Bonds5

About (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol

(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol (PubChem CID 167099168) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol
PubChem CID167099168
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol
SMILESC=CC[C@@H]1O[C@@H](CCCO)C[C@H]1O
InChIInChI=1S/C10H18O3/c1-2-4-10-9(12)7-8(13-10)5-3-6-11/h2,8-12H,1,3-7H2/t8-,9+,10-/m0/s1
InChIKeyOCFLTYCWHBFNLI-AEJSXWLSSA-N
XLogP0.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.85
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

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[(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
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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol?
The IUPAC name of (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol (CID 167099168) is (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol.
What is the SMILES notation for (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol?
The canonical SMILES for (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol is C=CC[C@@H]1O[C@@H](CCCO)C[C@H]1O.
What is the InChIKey of (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol?
The InChIKey is OCFLTYCWHBFNLI-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-4-10-9(12)7-8(13-10)5-3-6-11/h2,8-12H,1,3-7H2/t8-,9+,10-/m0/s1.
What are the key properties of (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol?
(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol has a molecular weight of 186.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 167099168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).