8-cyclopent-3-en-1-yloctanoic acid

C13H22O2 — CID 177256407

IUPAC8-cyclopent-3-en-1-yloctanoic acid
SMILESO=C(O)CCCCCCCC1CC=CC1
InChIInChI=1S/C13H22O2/c14-13(15)11-5-3-1-2-4-8-12-9-6-7-10-12/h6-7,12H,1-5,8-11H2,(H,14,15)
InChIKeyQALZCHUAWCPVRO-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.77
Rot. Bonds8

About 8-cyclopent-3-en-1-yloctanoic acid

8-cyclopent-3-en-1-yloctanoic acid (PubChem CID 177256407) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 8-cyclopent-3-en-1-yloctanoic acid.

Molecular Properties

Compound Name8-cyclopent-3-en-1-yloctanoic acid
PubChem CID177256407
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name8-cyclopent-3-en-1-yloctanoic acid
SMILESO=C(O)CCCCCCCC1CC=CC1
InChIInChI=1S/C13H22O2/c14-13(15)11-5-3-1-2-4-8-12-9-6-7-10-12/h6-7,12H,1-5,8-11H2,(H,14,15)
InChIKeyQALZCHUAWCPVRO-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

8-cyclobutyloctanoic acid
CID 72551210
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
12-[(8E)-cyclohexadec-8-en-1-yl]dodecanoic acid
CID 67740189
16-[4-(aminomethyl)cyclohexyl]hexadecanoic acid
CID 67111658
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 8-cyclopent-3-en-1-yloctanoic acid?
The IUPAC name of 8-cyclopent-3-en-1-yloctanoic acid (CID 177256407) is 8-cyclopent-3-en-1-yloctanoic acid.
What is the SMILES notation for 8-cyclopent-3-en-1-yloctanoic acid?
The canonical SMILES for 8-cyclopent-3-en-1-yloctanoic acid is O=C(O)CCCCCCCC1CC=CC1.
What is the InChIKey of 8-cyclopent-3-en-1-yloctanoic acid?
The InChIKey is QALZCHUAWCPVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-13(15)11-5-3-1-2-4-8-12-9-6-7-10-12/h6-7,12H,1-5,8-11H2,(H,14,15).
What are the key properties of 8-cyclopent-3-en-1-yloctanoic acid?
8-cyclopent-3-en-1-yloctanoic acid has a molecular weight of 210.32 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopent-3-en-1-yloctanoic acid is sourced from PubChem (CID 177256407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).