(E)-11-chloroundec-9-enoic acid

C11H19ClO2 — CID 134246833

IUPAC(E)-11-chloroundec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C/CCl
InChIInChI=1S/C11H19ClO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h6,8H,1-5,7,9-10H2,(H,13,14)/b8-6+
InChIKeyCYCRAFZUMMFVCG-SOFGYWHQSA-N
MW218.72 g/mol
LogP3.60
Rot. Bonds9

About (E)-11-chloroundec-9-enoic acid

(E)-11-chloroundec-9-enoic acid (PubChem CID 134246833) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is (E)-11-chloroundec-9-enoic acid.

Molecular Properties

Compound Name(E)-11-chloroundec-9-enoic acid
PubChem CID134246833
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name(E)-11-chloroundec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C/CCl
InChIInChI=1S/C11H19ClO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h6,8H,1-5,7,9-10H2,(H,13,14)/b8-6+
InChIKeyCYCRAFZUMMFVCG-SOFGYWHQSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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
18-chlorooctadec-9-enoic acid
CID 54535239
(E)-12-chlorododec-9-enoic acid
CID 134246841
(Z)-dodec-5-enedioic acid
CID 86751837
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993

Frequently Asked Questions

What is the IUPAC name of (E)-11-chloroundec-9-enoic acid?
The IUPAC name of (E)-11-chloroundec-9-enoic acid (CID 134246833) is (E)-11-chloroundec-9-enoic acid.
What is the SMILES notation for (E)-11-chloroundec-9-enoic acid?
The canonical SMILES for (E)-11-chloroundec-9-enoic acid is O=C(O)CCCCCCC/C=C/CCl.
What is the InChIKey of (E)-11-chloroundec-9-enoic acid?
The InChIKey is CYCRAFZUMMFVCG-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H19ClO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h6,8H,1-5,7,9-10H2,(H,13,14)/b8-6+.
What are the key properties of (E)-11-chloroundec-9-enoic acid?
(E)-11-chloroundec-9-enoic acid has a molecular weight of 218.72 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-chloroundec-9-enoic acid is sourced from PubChem (CID 134246833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).