8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid

C14H20O3 — CID 142086755

IUPAC8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)C1C=CC=CC1
InChIInChI=1S/C14H20O3/c15-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(16)17/h3-5,8,12H,1-2,6-7,9-11H2,(H,16,17)
InChIKeyVQPQAIUPDIUKEV-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds8

About 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid

8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid (PubChem CID 142086755) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid.

Molecular Properties

Compound Name8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid
PubChem CID142086755
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)C1C=CC=CC1
InChIInChI=1S/C14H20O3/c15-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(16)17/h3-5,8,12H,1-2,6-7,9-11H2,(H,16,17)
InChIKeyVQPQAIUPDIUKEV-UHFFFAOYSA-N
XLogP3.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopenta-2,4-dien-1-ylhexanoic acid
CID 12645352
8-cyclopent-3-en-1-yloctanoic acid
CID 177256407
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
3-cyclohepta-3,5-dien-1-ylpropanoic acid
CID 70614890

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid?
The IUPAC name of 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid (CID 142086755) is 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid.
What is the SMILES notation for 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid?
The canonical SMILES for 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)C1C=CC=CC1.
What is the InChIKey of 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid?
The InChIKey is VQPQAIUPDIUKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(16)17/h3-5,8,12H,1-2,6-7,9-11H2,(H,16,17).
What are the key properties of 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid?
8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid is sourced from PubChem (CID 142086755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).