(5R)-5-but-3-enyloxolan-2-ol

C8H14O2 — CID 163239251

IUPAC(5R)-5-but-3-enyloxolan-2-ol
SMILESC=CCC[C@@H]1CCC(O)O1
InChIInChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h2,7-9H,1,3-6H2/t7-,8?/m1/s1
InChIKeyOYBWIQXWZGASNB-GVHYBUMESA-N
MW142.20 g/mol
LogP1.45
Rot. Bonds3

About (5R)-5-but-3-enyloxolan-2-ol

(5R)-5-but-3-enyloxolan-2-ol (PubChem CID 163239251) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (5R)-5-but-3-enyloxolan-2-ol.

Molecular Properties

Compound Name(5R)-5-but-3-enyloxolan-2-ol
PubChem CID163239251
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(5R)-5-but-3-enyloxolan-2-ol
SMILESC=CCC[C@@H]1CCC(O)O1
InChIInChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h2,7-9H,1,3-6H2/t7-,8?/m1/s1
InChIKeyOYBWIQXWZGASNB-GVHYBUMESA-N
XLogP1.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.45
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 (5R)-5-but-3-enyloxolan-2-ol?
The IUPAC name of (5R)-5-but-3-enyloxolan-2-ol (CID 163239251) is (5R)-5-but-3-enyloxolan-2-ol.
What is the SMILES notation for (5R)-5-but-3-enyloxolan-2-ol?
The canonical SMILES for (5R)-5-but-3-enyloxolan-2-ol is C=CCC[C@@H]1CCC(O)O1.
What is the InChIKey of (5R)-5-but-3-enyloxolan-2-ol?
The InChIKey is OYBWIQXWZGASNB-GVHYBUMESA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h2,7-9H,1,3-6H2/t7-,8?/m1/s1.
What are the key properties of (5R)-5-but-3-enyloxolan-2-ol?
(5R)-5-but-3-enyloxolan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-but-3-enyloxolan-2-ol is sourced from PubChem (CID 163239251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).