[(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol

C8H14O3 — CID 57050782

IUPAC[(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol
SMILESC=C1C[C@@H](OCC)O[C@@H]1CO
InChIInChI=1S/C8H14O3/c1-3-10-8-4-6(2)7(5-9)11-8/h7-9H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyXVPHWTWVTVZDEF-SFYZADRCSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds3

About [(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol

[(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol (PubChem CID 57050782) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol
PubChem CID57050782
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol
SMILESC=C1C[C@@H](OCC)O[C@@H]1CO
InChIInChI=1S/C8H14O3/c1-3-10-8-4-6(2)7(5-9)11-8/h7-9H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyXVPHWTWVTVZDEF-SFYZADRCSA-N
XLogP0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol (CID 57050782) is [(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol is C=C1C[C@@H](OCC)O[C@@H]1CO.
What is the InChIKey of [(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol?
The InChIKey is XVPHWTWVTVZDEF-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-10-8-4-6(2)7(5-9)11-8/h7-9H,2-5H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol?
[(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol has a molecular weight of 158.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-ethoxy-3-methylideneoxolan-2-yl]methanol is sourced from PubChem (CID 57050782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).