[(2S,5R)-5-ethenyloxolan-2-yl]methanol

C7H12O2 — CID 98618195

IUPAC[(2S,5R)-5-ethenyloxolan-2-yl]methanol
SMILESC=C[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C7H12O2/c1-2-6-3-4-7(5-8)9-6/h2,6-8H,1,3-5H2/t6-,7-/m0/s1
InChIKeyKBCPCIDYIKJEOR-BQBZGAKWSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds2

About [(2S,5R)-5-ethenyloxolan-2-yl]methanol

[(2S,5R)-5-ethenyloxolan-2-yl]methanol (PubChem CID 98618195) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(2S,5R)-5-ethenyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-ethenyloxolan-2-yl]methanol
PubChem CID98618195
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(2S,5R)-5-ethenyloxolan-2-yl]methanol
SMILESC=C[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C7H12O2/c1-2-6-3-4-7(5-8)9-6/h2,6-8H,1,3-5H2/t6-,7-/m0/s1
InChIKeyKBCPCIDYIKJEOR-BQBZGAKWSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
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 [(2S,5R)-5-ethenyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-ethenyloxolan-2-yl]methanol (CID 98618195) is [(2S,5R)-5-ethenyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-ethenyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-ethenyloxolan-2-yl]methanol is C=C[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5R)-5-ethenyloxolan-2-yl]methanol?
The InChIKey is KBCPCIDYIKJEOR-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-6-3-4-7(5-8)9-6/h2,6-8H,1,3-5H2/t6-,7-/m0/s1.
What are the key properties of [(2S,5R)-5-ethenyloxolan-2-yl]methanol?
[(2S,5R)-5-ethenyloxolan-2-yl]methanol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-ethenyloxolan-2-yl]methanol is sourced from PubChem (CID 98618195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).