3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol

C14H22O5 — CID 87880433

IUPAC3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol
SMILESC=CC(C=C)(OC(C=C)(C=C)C(O)CO)C(O)CO
InChIInChI=1S/C14H22O5/c1-5-13(6-2,11(17)9-15)19-14(7-3,8-4)12(18)10-16/h5-8,11-12,15-18H,1-4,9-10H2
InChIKeyOIVCGEWMXPEFPQ-UHFFFAOYSA-N
MW270.32 g/mol
LogP-0.07
Rot. Bonds10

About 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol

3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol (PubChem CID 87880433) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol.

Molecular Properties

Compound Name3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol
PubChem CID87880433
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol
SMILESC=CC(C=C)(OC(C=C)(C=C)C(O)CO)C(O)CO
InChIInChI=1S/C14H22O5/c1-5-13(6-2,11(17)9-15)19-14(7-3,8-4)12(18)10-16/h5-8,11-12,15-18H,1-4,9-10H2
InChIKeyOIVCGEWMXPEFPQ-UHFFFAOYSA-N
XLogP-0.07
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol?
The IUPAC name of 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol (CID 87880433) is 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol.
What is the SMILES notation for 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol?
The canonical SMILES for 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol is C=CC(C=C)(OC(C=C)(C=C)C(O)CO)C(O)CO.
What is the InChIKey of 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol?
The InChIKey is OIVCGEWMXPEFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-5-13(6-2,11(17)9-15)19-14(7-3,8-4)12(18)10-16/h5-8,11-12,15-18H,1-4,9-10H2.
What are the key properties of 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol?
3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol has a molecular weight of 270.32 g/mol, XLogP of -0.07, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,2-dihydroxyethyl)penta-1,4-dien-3-yloxy]-3-ethenylpent-4-ene-1,2-diol is sourced from PubChem (CID 87880433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).