11-cyclopent-2-en-1-ylundecanoic acid;piperazine

C20H38N2O2 — CID 54606218

IUPAC11-cyclopent-2-en-1-ylundecanoic acid;piperazine
SMILESC1CNCCN1.O=C(O)CCCCCCCCCCC1C=CCC1
InChIInChI=1S/C16H28O2.C4H10N2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15;1-2-6-4-3-5-1/h9,12,15H,1-8,10-11,13-14H2,(H,17,18);5-6H,1-4H2
InChIKeyQDYDVUSZIAQCCG-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.12
Rot. Bonds11

About 11-cyclopent-2-en-1-ylundecanoic acid;piperazine

11-cyclopent-2-en-1-ylundecanoic acid;piperazine (PubChem CID 54606218) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 11-cyclopent-2-en-1-ylundecanoic acid;piperazine.

Molecular Properties

Compound Name11-cyclopent-2-en-1-ylundecanoic acid;piperazine
PubChem CID54606218
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name11-cyclopent-2-en-1-ylundecanoic acid;piperazine
SMILESC1CNCCN1.O=C(O)CCCCCCCCCCC1C=CCC1
InChIInChI=1S/C16H28O2.C4H10N2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15;1-2-6-4-3-5-1/h9,12,15H,1-8,10-11,13-14H2,(H,17,18);5-6H,1-4H2
InChIKeyQDYDVUSZIAQCCG-UHFFFAOYSA-N
XLogP4.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

9-Octadecenoic acid (9Z)-, compd. with N1-(2-aminoethyl)-1,2-ethanediamine (1:?)
CID 6441410
N'-(2-aminoethyl)ethane-1,2-diamine;(9Z,12Z)-octadeca-9,12-dienoic acid
CID 6435862
decanedioic acid;ethane-1,2-diamine;(9Z,12Z)-octadeca-9,12-dienoic acid;4-(3-piperidin-4-ylpropyl)piperidine
CID 53470808
N'-(2-aminoethyl)ethane-1,2-diamine;octadec-9-enoic acid
CID 167690
N'-(2-aminoethyl)ethane-1,2-diamine;(9E,12E)-octadeca-9,12-dienoic acid
CID 20502869
bis((9Z,12Z)-octadeca-9,12-dienoic acid);piperazine;(5R)-3,3,5-trimethylcyclohexan-1-one
CID 91668105
(Z)-octadec-9-enoate;piperazin-1-ium
CID 69594058
(9Z,12Z,15Z)-octadeca-9,12,15-trienoate;piperazin-1-ium
CID 69594097
(9Z,12Z)-octadeca-9,12-dienoate;piperazin-1-ium
CID 69594129
(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;piperazine;2-propylpentanoate
CID 157704401
(Z)-octadec-9-enoic acid;piperazine
CID 173188971
Octadec-9-enoic acid;piperazine
CID 173188974

Frequently Asked Questions

What is the IUPAC name of 11-cyclopent-2-en-1-ylundecanoic acid;piperazine?
The IUPAC name of 11-cyclopent-2-en-1-ylundecanoic acid;piperazine (CID 54606218) is 11-cyclopent-2-en-1-ylundecanoic acid;piperazine.
What is the SMILES notation for 11-cyclopent-2-en-1-ylundecanoic acid;piperazine?
The canonical SMILES for 11-cyclopent-2-en-1-ylundecanoic acid;piperazine is C1CNCCN1.O=C(O)CCCCCCCCCCC1C=CCC1.
What is the InChIKey of 11-cyclopent-2-en-1-ylundecanoic acid;piperazine?
The InChIKey is QDYDVUSZIAQCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2.C4H10N2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15;1-2-6-4-3-5-1/h9,12,15H,1-8,10-11,13-14H2,(H,17,18);5-6H,1-4H2.
What are the key properties of 11-cyclopent-2-en-1-ylundecanoic acid;piperazine?
11-cyclopent-2-en-1-ylundecanoic acid;piperazine has a molecular weight of 338.54 g/mol, XLogP of 4.12, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclopent-2-en-1-ylundecanoic acid;piperazine is sourced from PubChem (CID 54606218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).