4-hexoxy-2-methyloxolane-2,3,3-triol

C11H22O5 — CID 71467257

IUPAC4-hexoxy-2-methyloxolane-2,3,3-triol
SMILESCCCCCCOC1COC(C)(O)C1(O)O
InChIInChI=1S/C11H22O5/c1-3-4-5-6-7-15-9-8-16-10(2,12)11(9,13)14/h9,12-14H,3-8H2,1-2H3
InChIKeyHOCFPBWNVXGTFJ-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.37
Rot. Bonds6

About 4-hexoxy-2-methyloxolane-2,3,3-triol

4-hexoxy-2-methyloxolane-2,3,3-triol (PubChem CID 71467257) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-hexoxy-2-methyloxolane-2,3,3-triol.

Molecular Properties

Compound Name4-hexoxy-2-methyloxolane-2,3,3-triol
PubChem CID71467257
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name4-hexoxy-2-methyloxolane-2,3,3-triol
SMILESCCCCCCOC1COC(C)(O)C1(O)O
InChIInChI=1S/C11H22O5/c1-3-4-5-6-7-15-9-8-16-10(2,12)11(9,13)14/h9,12-14H,3-8H2,1-2H3
InChIKeyHOCFPBWNVXGTFJ-UHFFFAOYSA-N
XLogP0.37
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-2-methyloxolane-2,3,3-triol?
The IUPAC name of 4-hexoxy-2-methyloxolane-2,3,3-triol (CID 71467257) is 4-hexoxy-2-methyloxolane-2,3,3-triol.
What is the SMILES notation for 4-hexoxy-2-methyloxolane-2,3,3-triol?
The canonical SMILES for 4-hexoxy-2-methyloxolane-2,3,3-triol is CCCCCCOC1COC(C)(O)C1(O)O.
What is the InChIKey of 4-hexoxy-2-methyloxolane-2,3,3-triol?
The InChIKey is HOCFPBWNVXGTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-3-4-5-6-7-15-9-8-16-10(2,12)11(9,13)14/h9,12-14H,3-8H2,1-2H3.
What are the key properties of 4-hexoxy-2-methyloxolane-2,3,3-triol?
4-hexoxy-2-methyloxolane-2,3,3-triol has a molecular weight of 234.29 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-2-methyloxolane-2,3,3-triol is sourced from PubChem (CID 71467257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).