4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one

C10H10Cl2O2 — CID 30450502

IUPAC4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one
SMILESCC/C=C(\Cl)c1c(Cl)cc(C)oc1=O
InChIInChI=1S/C10H10Cl2O2/c1-3-4-7(11)9-8(12)5-6(2)14-10(9)13/h4-5H,3H2,1-2H3/b7-4-
InChIKeyBQYNLSLQSKJQFL-DAXSKMNVSA-N
MW233.09 g/mol
LogP3.59
Rot. Bonds2

About 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one

4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one (PubChem CID 30450502) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one.

Molecular Properties

Compound Name4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one
PubChem CID30450502
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one
SMILESCC/C=C(\Cl)c1c(Cl)cc(C)oc1=O
InChIInChI=1S/C10H10Cl2O2/c1-3-4-7(11)9-8(12)5-6(2)14-10(9)13/h4-5H,3H2,1-2H3/b7-4-
InChIKeyBQYNLSLQSKJQFL-DAXSKMNVSA-N
XLogP3.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one?
The IUPAC name of 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one (CID 30450502) is 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one.
What is the SMILES notation for 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one?
The canonical SMILES for 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one is CC/C=C(\Cl)c1c(Cl)cc(C)oc1=O.
What is the InChIKey of 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one?
The InChIKey is BQYNLSLQSKJQFL-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-3-4-7(11)9-8(12)5-6(2)14-10(9)13/h4-5H,3H2,1-2H3/b7-4-.
What are the key properties of 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one?
4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one has a molecular weight of 233.09 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(Z)-1-chlorobut-1-enyl]-6-methylpyran-2-one is sourced from PubChem (CID 30450502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).