3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol

C14H22O4 — CID 118378451

IUPAC3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol
SMILESC=CC(O)(C=C)CC(O)OC(C=C)(C=C)CCO
InChIInChI=1S/C14H22O4/c1-5-13(17,6-2)11-12(16)18-14(7-3,8-4)9-10-15/h5-8,12,15-17H,1-4,9-11H2
InChIKeyGZVQHUWRHOHEPZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.31
Rot. Bonds10

About 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol

3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol (PubChem CID 118378451) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol.

Molecular Properties

Compound Name3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol
PubChem CID118378451
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol
SMILESC=CC(O)(C=C)CC(O)OC(C=C)(C=C)CCO
InChIInChI=1S/C14H22O4/c1-5-13(17,6-2)11-12(16)18-14(7-3,8-4)9-10-15/h5-8,12,15-17H,1-4,9-11H2
InChIKeyGZVQHUWRHOHEPZ-UHFFFAOYSA-N
XLogP1.31
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol?
The IUPAC name of 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol (CID 118378451) is 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol.
What is the SMILES notation for 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol?
The canonical SMILES for 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol is C=CC(O)(C=C)CC(O)OC(C=C)(C=C)CCO.
What is the InChIKey of 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol?
The InChIKey is GZVQHUWRHOHEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-5-13(17,6-2)11-12(16)18-14(7-3,8-4)9-10-15/h5-8,12,15-17H,1-4,9-11H2.
What are the key properties of 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol?
3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol has a molecular weight of 254.33 g/mol, XLogP of 1.31, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-[3-(2-hydroxyethyl)penta-1,4-dien-3-yloxy]pent-4-ene-1,3-diol is sourced from PubChem (CID 118378451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).