5-chloro-2-methylidenepentanoic acid

C6H9ClO2 — CID 10953677

IUPAC5-chloro-2-methylidenepentanoic acid
SMILESC=C(CCCCl)C(=O)O
InChIInChI=1S/C6H9ClO2/c1-5(6(8)9)3-2-4-7/h1-4H2,(H,8,9)
InChIKeyCRNVOTAJIXPSPN-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.65
Rot. Bonds4

About 5-chloro-2-methylidenepentanoic acid

5-chloro-2-methylidenepentanoic acid (PubChem CID 10953677) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is 5-chloro-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-chloro-2-methylidenepentanoic acid
PubChem CID10953677
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name5-chloro-2-methylidenepentanoic acid
SMILESC=C(CCCCl)C(=O)O
InChIInChI=1S/C6H9ClO2/c1-5(6(8)9)3-2-4-7/h1-4H2,(H,8,9)
InChIKeyCRNVOTAJIXPSPN-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-methylidenepentanoic acid?
The IUPAC name of 5-chloro-2-methylidenepentanoic acid (CID 10953677) is 5-chloro-2-methylidenepentanoic acid.
What is the SMILES notation for 5-chloro-2-methylidenepentanoic acid?
The canonical SMILES for 5-chloro-2-methylidenepentanoic acid is C=C(CCCCl)C(=O)O.
What is the InChIKey of 5-chloro-2-methylidenepentanoic acid?
The InChIKey is CRNVOTAJIXPSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-5(6(8)9)3-2-4-7/h1-4H2,(H,8,9).
What are the key properties of 5-chloro-2-methylidenepentanoic acid?
5-chloro-2-methylidenepentanoic acid has a molecular weight of 148.59 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylidenepentanoic acid is sourced from PubChem (CID 10953677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).