(Z)-11-oxoundec-9-enoic acid

C11H18O3 — CID 58659712

IUPAC(Z)-11-oxoundec-9-enoic acid
SMILESO=C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h6,8,10H,1-5,7,9H2,(H,13,14)/b8-6-
InChIKeyGUCLXGNHJRLWIL-VURMDHGXSA-N
MW198.26 g/mol
LogP2.56
Rot. Bonds9

About (Z)-11-oxoundec-9-enoic acid

(Z)-11-oxoundec-9-enoic acid (PubChem CID 58659712) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (Z)-11-oxoundec-9-enoic acid.

Molecular Properties

Compound Name(Z)-11-oxoundec-9-enoic acid
PubChem CID58659712
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(Z)-11-oxoundec-9-enoic acid
SMILESO=C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h6,8,10H,1-5,7,9H2,(H,13,14)/b8-6-
InChIKeyGUCLXGNHJRLWIL-VURMDHGXSA-N
XLogP2.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-11-oxoundec-9-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
N,N-dimethylmethanamine;(E)-7-oxohept-5-enoic acid
CID 153402833
9-oxonona-5,7-dienoic acid
CID 57345996
(Z)-dodec-5-enedioic acid
CID 86751837
dec-2-enal;octanoic acid;oct-3-en-2-one
CID 161435460
(Z,5Z)-5-heptylidene-17-oxoheptadec-15-enoic acid
CID 87998455
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655

Frequently Asked Questions

What is the IUPAC name of (Z)-11-oxoundec-9-enoic acid?
The IUPAC name of (Z)-11-oxoundec-9-enoic acid (CID 58659712) is (Z)-11-oxoundec-9-enoic acid.
What is the SMILES notation for (Z)-11-oxoundec-9-enoic acid?
The canonical SMILES for (Z)-11-oxoundec-9-enoic acid is O=C/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z)-11-oxoundec-9-enoic acid?
The InChIKey is GUCLXGNHJRLWIL-VURMDHGXSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h6,8,10H,1-5,7,9H2,(H,13,14)/b8-6-.
What are the key properties of (Z)-11-oxoundec-9-enoic acid?
(Z)-11-oxoundec-9-enoic acid has a molecular weight of 198.26 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-oxoundec-9-enoic acid is sourced from PubChem (CID 58659712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).