(2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol

C9H14O4 — CID 11309942

IUPAC(2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
SMILESC=CCO[C@@H]1C=C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H14O4/c1-2-5-12-9-4-3-7(11)8(6-10)13-9/h2-4,7-11H,1,5-6H2/t7-,8-,9+/m1/s1
InChIKeyHCQVQZXOQQJSQT-HLTSFMKQSA-N
MW186.21 g/mol
LogP-0.18
Rot. Bonds4

About (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol

(2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11309942) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
PubChem CID11309942
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
SMILESC=CCO[C@@H]1C=C[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C9H14O4/c1-2-5-12-9-4-3-7(11)8(6-10)13-9/h2-4,7-11H,1,5-6H2/t7-,8-,9+/m1/s1
InChIKeyHCQVQZXOQQJSQT-HLTSFMKQSA-N
XLogP-0.18
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol (CID 11309942) is (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol is C=CCO[C@@H]1C=C[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is HCQVQZXOQQJSQT-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H14O4/c1-2-5-12-9-4-3-7(11)8(6-10)13-9/h2-4,7-11H,1,5-6H2/t7-,8-,9+/m1/s1.
What are the key properties of (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol?
(2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 186.21 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-2-(hydroxymethyl)-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11309942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).