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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Related Compounds

2-(5-Ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid
CID 44566293
Ethyl 2-[cyclohexyl(hydroxy)methyl]prop-2-enoate
CID 11241315
(2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid
CID 162875437
ethyl (E,3R,4S,6S)-4,6-diethyl-3,6-dihydroxyundec-7-enoate
CID 162977155
Octahydroheptaprenyl mycolic acyl ester
CID 139584673
Pinophol G
CID 170989225
Ethyl 2-[cyclohexyl(hydroxy)methyl]buta-2,3-dienoate
CID 101557424
(3R,4S,5R,6R)-4-hydroxy-3,5-dimethyl-6-[(3S)-3-methylpent-4-enyl]oxan-2-one
CID 11481545
(2S,3R,4R,6S)-3-hydroxy-2,4,6-trimethyloct-7-enoic acid
CID 24754786
ethyl (E,2S,3S)-8-acetyloxy-3-hydroxy-2,6-dimethyloct-6-enoate
CID 42642692
(2S)-2-[(2S,5S,6S)-6-[(2R)-but-3-en-2-yl]-5-methyloxan-2-yl]propanoic acid
CID 101459009
ethyl (2R)-2-[(S)-cyclohexyl(hydroxy)methyl]but-3-enoate
CID 134966650

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).