(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione

C11H12Cl2O3 — CID 88840980

IUPAC(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione
SMILESCC/C=C(\Cl)C(=O)C(=O)C(=O)/C(Cl)=C/CC
InChIInChI=1S/C11H12Cl2O3/c1-3-5-7(12)9(14)11(16)10(15)8(13)6-4-2/h5-6H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyFMAKYJVXXPSLRI-SFECMWDFSA-N
MW263.12 g/mol
LogP2.76
Rot. Bonds6

About (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione

(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione (PubChem CID 88840980) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione.

Molecular Properties

Compound Name(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione
PubChem CID88840980
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione
SMILESCC/C=C(\Cl)C(=O)C(=O)C(=O)/C(Cl)=C/CC
InChIInChI=1S/C11H12Cl2O3/c1-3-5-7(12)9(14)11(16)10(15)8(13)6-4-2/h5-6H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyFMAKYJVXXPSLRI-SFECMWDFSA-N
XLogP2.76
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione?
The IUPAC name of (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione (CID 88840980) is (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione.
What is the SMILES notation for (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione?
The canonical SMILES for (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione is CC/C=C(\Cl)C(=O)C(=O)C(=O)/C(Cl)=C/CC.
What is the InChIKey of (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione?
The InChIKey is FMAKYJVXXPSLRI-SFECMWDFSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-3-5-7(12)9(14)11(16)10(15)8(13)6-4-2/h5-6H,3-4H2,1-2H3/b7-5-,8-6-.
What are the key properties of (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione?
(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione has a molecular weight of 263.12 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione is sourced from PubChem (CID 88840980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).