2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol

C10H18O2 — CID 175638908

IUPAC2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol
SMILESC=CC(CO)[C@@H]1OCC[C@H]1CC
InChIInChI=1S/C10H18O2/c1-3-8-5-6-12-10(8)9(4-2)7-11/h4,8-11H,2-3,5-7H2,1H3/t8-,9?,10-/m1/s1
InChIKeyCQCWJJKGSGJCNY-RCAUJQPQSA-N
MW170.25 g/mol
LogP1.60
Rot. Bonds4

About 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol

2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol (PubChem CID 175638908) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol
PubChem CID175638908
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol
SMILESC=CC(CO)[C@@H]1OCC[C@H]1CC
InChIInChI=1S/C10H18O2/c1-3-8-5-6-12-10(8)9(4-2)7-11/h4,8-11H,2-3,5-7H2,1H3/t8-,9?,10-/m1/s1
InChIKeyCQCWJJKGSGJCNY-RCAUJQPQSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol?
The IUPAC name of 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol (CID 175638908) is 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol.
What is the SMILES notation for 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol?
The canonical SMILES for 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol is C=CC(CO)[C@@H]1OCC[C@H]1CC.
What is the InChIKey of 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol?
The InChIKey is CQCWJJKGSGJCNY-RCAUJQPQSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-8-5-6-12-10(8)9(4-2)7-11/h4,8-11H,2-3,5-7H2,1H3/t8-,9?,10-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol?
2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-en-1-ol is sourced from PubChem (CID 175638908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).