3-ethynylpent-4-ene-1,2,3-triol

C7H10O3 — CID 130144144

IUPAC3-ethynylpent-4-ene-1,2,3-triol
SMILESC#CC(O)(C=C)C(O)CO
InChIInChI=1S/C7H10O3/c1-3-7(10,4-2)6(9)5-8/h1,4,6,8-10H,2,5H2
InChIKeyFYLGHLWGPXXHML-UHFFFAOYSA-N
MW142.15 g/mol
LogP-1.11
Rot. Bonds3

About 3-ethynylpent-4-ene-1,2,3-triol

3-ethynylpent-4-ene-1,2,3-triol (PubChem CID 130144144) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3-ethynylpent-4-ene-1,2,3-triol.

Molecular Properties

Compound Name3-ethynylpent-4-ene-1,2,3-triol
PubChem CID130144144
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3-ethynylpent-4-ene-1,2,3-triol
SMILESC#CC(O)(C=C)C(O)CO
InChIInChI=1S/C7H10O3/c1-3-7(10,4-2)6(9)5-8/h1,4,6,8-10H,2,5H2
InChIKeyFYLGHLWGPXXHML-UHFFFAOYSA-N
XLogP-1.11
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethynylpent-4-ene-1,2,3-triol?
The IUPAC name of 3-ethynylpent-4-ene-1,2,3-triol (CID 130144144) is 3-ethynylpent-4-ene-1,2,3-triol.
What is the SMILES notation for 3-ethynylpent-4-ene-1,2,3-triol?
The canonical SMILES for 3-ethynylpent-4-ene-1,2,3-triol is C#CC(O)(C=C)C(O)CO.
What is the InChIKey of 3-ethynylpent-4-ene-1,2,3-triol?
The InChIKey is FYLGHLWGPXXHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-7(10,4-2)6(9)5-8/h1,4,6,8-10H,2,5H2.
What are the key properties of 3-ethynylpent-4-ene-1,2,3-triol?
3-ethynylpent-4-ene-1,2,3-triol has a molecular weight of 142.15 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynylpent-4-ene-1,2,3-triol is sourced from PubChem (CID 130144144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).