4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol

C11H14O3 — CID 67673997

IUPAC4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol
SMILESC/C=C\C(O)(/C=C/C)c1cocc1O
InChIInChI=1S/C11H14O3/c1-3-5-11(13,6-4-2)9-7-14-8-10(9)12/h3-8,12-13H,1-2H3/b5-3-,6-4+
InChIKeyFEXXARJMGBKXFF-CIIODKQPSA-N
MW194.23 g/mol
LogP2.33
Rot. Bonds3

About 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol

4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol (PubChem CID 67673997) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol.

Molecular Properties

Compound Name4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol
PubChem CID67673997
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol
SMILESC/C=C\C(O)(/C=C/C)c1cocc1O
InChIInChI=1S/C11H14O3/c1-3-5-11(13,6-4-2)9-7-14-8-10(9)12/h3-8,12-13H,1-2H3/b5-3-,6-4+
InChIKeyFEXXARJMGBKXFF-CIIODKQPSA-N
XLogP2.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol?
The IUPAC name of 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol (CID 67673997) is 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol.
What is the SMILES notation for 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol?
The canonical SMILES for 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol is C/C=C\C(O)(/C=C/C)c1cocc1O.
What is the InChIKey of 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol?
The InChIKey is FEXXARJMGBKXFF-CIIODKQPSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-5-11(13,6-4-2)9-7-14-8-10(9)12/h3-8,12-13H,1-2H3/b5-3-,6-4+.
What are the key properties of 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol?
4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol has a molecular weight of 194.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,5E)-4-hydroxyhepta-2,5-dien-4-yl]furan-3-ol is sourced from PubChem (CID 67673997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).