7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid

C15H22O5 — CID 71528000

IUPAC7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid
SMILESC=CC(C=C)OC(=O)C(CCCCC(=O)O)C(O)C=C
InChIInChI=1S/C15H22O5/c1-4-11(5-2)20-15(19)12(13(16)6-3)9-7-8-10-14(17)18/h4-6,11-13,16H,1-3,7-10H2,(H,17,18)
InChIKeyCORIOEKLTREQDY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.08
Rot. Bonds11

About 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid

7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid (PubChem CID 71528000) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid.

Molecular Properties

Compound Name7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid
PubChem CID71528000
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid
SMILESC=CC(C=C)OC(=O)C(CCCCC(=O)O)C(O)C=C
InChIInChI=1S/C15H22O5/c1-4-11(5-2)20-15(19)12(13(16)6-3)9-7-8-10-14(17)18/h4-6,11-13,16H,1-3,7-10H2,(H,17,18)
InChIKeyCORIOEKLTREQDY-UHFFFAOYSA-N
XLogP2.08
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid?
The IUPAC name of 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid (CID 71528000) is 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid.
What is the SMILES notation for 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid?
The canonical SMILES for 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid is C=CC(C=C)OC(=O)C(CCCCC(=O)O)C(O)C=C.
What is the InChIKey of 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid?
The InChIKey is CORIOEKLTREQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-4-11(5-2)20-15(19)12(13(16)6-3)9-7-8-10-14(17)18/h4-6,11-13,16H,1-3,7-10H2,(H,17,18).
What are the key properties of 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid?
7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-penta-1,4-dien-3-yloxycarbonylnon-8-enoic acid is sourced from PubChem (CID 71528000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).