(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol

C7H12O3 — CID 132567869

IUPAC(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCCO[C@@H]1C=C[C@@H](O)CO1
InChIInChI=1S/C7H12O3/c1-2-9-7-4-3-6(8)5-10-7/h3-4,6-8H,2,5H2,1H3/t6-,7+/m1/s1
InChIKeyHFFPGANQUSYUNI-RQJHMYQMSA-N
MW144.17 g/mol
LogP0.30
Rot. Bonds2

About (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol

(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 132567869) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID132567869
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
SMILESCCO[C@@H]1C=C[C@@H](O)CO1
InChIInChI=1S/C7H12O3/c1-2-9-7-4-3-6(8)5-10-7/h3-4,6-8H,2,5H2,1H3/t6-,7+/m1/s1
InChIKeyHFFPGANQUSYUNI-RQJHMYQMSA-N
XLogP0.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.30
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 (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol (CID 132567869) is (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol is CCO[C@@H]1C=C[C@@H](O)CO1.
What is the InChIKey of (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is HFFPGANQUSYUNI-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-9-7-4-3-6(8)5-10-7/h3-4,6-8H,2,5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol?
(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 144.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 132567869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).