6-cyclopenta-2,4-dien-1-ylhexanoic acid

C11H16O2 — CID 12645352

IUPAC6-cyclopenta-2,4-dien-1-ylhexanoic acid
SMILESO=C(O)CCCCCC1C=CC=C1
InChIInChI=1S/C11H16O2/c12-11(13)9-3-1-2-6-10-7-4-5-8-10/h4-5,7-8,10H,1-3,6,9H2,(H,12,13)
InChIKeySCTUVVABFZXONP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.76
Rot. Bonds6

About 6-cyclopenta-2,4-dien-1-ylhexanoic acid

6-cyclopenta-2,4-dien-1-ylhexanoic acid (PubChem CID 12645352) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-cyclopenta-2,4-dien-1-ylhexanoic acid.

Molecular Properties

Compound Name6-cyclopenta-2,4-dien-1-ylhexanoic acid
PubChem CID12645352
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name6-cyclopenta-2,4-dien-1-ylhexanoic acid
SMILESO=C(O)CCCCCC1C=CC=C1
InChIInChI=1S/C11H16O2/c12-11(13)9-3-1-2-6-10-7-4-5-8-10/h4-5,7-8,10H,1-3,6,9H2,(H,12,13)
InChIKeySCTUVVABFZXONP-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of 6-cyclopenta-2,4-dien-1-ylhexanoic acid?
The IUPAC name of 6-cyclopenta-2,4-dien-1-ylhexanoic acid (CID 12645352) is 6-cyclopenta-2,4-dien-1-ylhexanoic acid.
What is the SMILES notation for 6-cyclopenta-2,4-dien-1-ylhexanoic acid?
The canonical SMILES for 6-cyclopenta-2,4-dien-1-ylhexanoic acid is O=C(O)CCCCCC1C=CC=C1.
What is the InChIKey of 6-cyclopenta-2,4-dien-1-ylhexanoic acid?
The InChIKey is SCTUVVABFZXONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11(13)9-3-1-2-6-10-7-4-5-8-10/h4-5,7-8,10H,1-3,6,9H2,(H,12,13).
What are the key properties of 6-cyclopenta-2,4-dien-1-ylhexanoic acid?
6-cyclopenta-2,4-dien-1-ylhexanoic acid has a molecular weight of 180.25 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopenta-2,4-dien-1-ylhexanoic acid is sourced from PubChem (CID 12645352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).