2-ethenyloxane-3,4,5-triol

C7H12O4 — CID 22755840

IUPAC2-ethenyloxane-3,4,5-triol
SMILESC=CC1OCC(O)C(O)C1O
InChIInChI=1S/C7H12O4/c1-2-5-7(10)6(9)4(8)3-11-5/h2,4-10H,1,3H2
InChIKeyUUIJGCBYUULRNG-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.35
Rot. Bonds1

About 2-ethenyloxane-3,4,5-triol

2-ethenyloxane-3,4,5-triol (PubChem CID 22755840) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-ethenyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-ethenyloxane-3,4,5-triol
PubChem CID22755840
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-ethenyloxane-3,4,5-triol
SMILESC=CC1OCC(O)C(O)C1O
InChIInChI=1S/C7H12O4/c1-2-5-7(10)6(9)4(8)3-11-5/h2,4-10H,1,3H2
InChIKeyUUIJGCBYUULRNG-UHFFFAOYSA-N
XLogP-1.35
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
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 2-ethenyloxane-3,4,5-triol?
The IUPAC name of 2-ethenyloxane-3,4,5-triol (CID 22755840) is 2-ethenyloxane-3,4,5-triol.
What is the SMILES notation for 2-ethenyloxane-3,4,5-triol?
The canonical SMILES for 2-ethenyloxane-3,4,5-triol is C=CC1OCC(O)C(O)C1O.
What is the InChIKey of 2-ethenyloxane-3,4,5-triol?
The InChIKey is UUIJGCBYUULRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-2-5-7(10)6(9)4(8)3-11-5/h2,4-10H,1,3H2.
What are the key properties of 2-ethenyloxane-3,4,5-triol?
2-ethenyloxane-3,4,5-triol has a molecular weight of 160.17 g/mol, XLogP of -1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyloxane-3,4,5-triol is sourced from PubChem (CID 22755840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).