5-chloro-2-methylidenepentanoyl chloride

C6H8Cl2O — CID 126970691

IUPAC5-chloro-2-methylidenepentanoyl chloride
SMILESC=C(CCCCl)C(=O)Cl
InChIInChI=1S/C6H8Cl2O/c1-5(6(8)9)3-2-4-7/h1-4H2
InChIKeyXULPNMWRMVSRCN-UHFFFAOYSA-N
MW167.03 g/mol
LogP2.33
Rot. Bonds4

About 5-chloro-2-methylidenepentanoyl chloride

5-chloro-2-methylidenepentanoyl chloride (PubChem CID 126970691) has the molecular formula C6H8Cl2O and a molecular weight of 167.03 g/mol. Its IUPAC name is 5-chloro-2-methylidenepentanoyl chloride.

Molecular Properties

Compound Name5-chloro-2-methylidenepentanoyl chloride
PubChem CID126970691
Molecular FormulaC6H8Cl2O
Molecular Weight167.03 g/mol
Exact Mass166.00
IUPAC Name5-chloro-2-methylidenepentanoyl chloride
SMILESC=C(CCCCl)C(=O)Cl
InChIInChI=1S/C6H8Cl2O/c1-5(6(8)9)3-2-4-7/h1-4H2
InChIKeyXULPNMWRMVSRCN-UHFFFAOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.03
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylidenepentanoyl chloride?
The IUPAC name of 5-chloro-2-methylidenepentanoyl chloride (CID 126970691) is 5-chloro-2-methylidenepentanoyl chloride.
What is the SMILES notation for 5-chloro-2-methylidenepentanoyl chloride?
The canonical SMILES for 5-chloro-2-methylidenepentanoyl chloride is C=C(CCCCl)C(=O)Cl.
What is the InChIKey of 5-chloro-2-methylidenepentanoyl chloride?
The InChIKey is XULPNMWRMVSRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O/c1-5(6(8)9)3-2-4-7/h1-4H2.
What are the key properties of 5-chloro-2-methylidenepentanoyl chloride?
5-chloro-2-methylidenepentanoyl chloride has a molecular weight of 167.03 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylidenepentanoyl chloride is sourced from PubChem (CID 126970691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).