(2R)-2-chloropentanal

C5H9ClO — CID 23729523

IUPAC(2R)-2-chloropentanal
SMILESCCC[C@@H](Cl)C=O
InChIInChI=1S/C5H9ClO/c1-2-3-5(6)4-7/h4-5H,2-3H2,1H3/t5-/m1/s1
InChIKeyVRJSDMNRPHLGRD-RXMQYKEDSA-N
MW120.58 g/mol
LogP1.59
Rot. Bonds3

About (2R)-2-chloropentanal

(2R)-2-chloropentanal (PubChem CID 23729523) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is (2R)-2-chloropentanal.

Molecular Properties

Compound Name(2R)-2-chloropentanal
PubChem CID23729523
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name(2R)-2-chloropentanal
SMILESCCC[C@@H](Cl)C=O
InChIInChI=1S/C5H9ClO/c1-2-3-5(6)4-7/h4-5H,2-3H2,1H3/t5-/m1/s1
InChIKeyVRJSDMNRPHLGRD-RXMQYKEDSA-N
XLogP1.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloropentanal?
The IUPAC name of (2R)-2-chloropentanal (CID 23729523) is (2R)-2-chloropentanal.
What is the SMILES notation for (2R)-2-chloropentanal?
The canonical SMILES for (2R)-2-chloropentanal is CCC[C@@H](Cl)C=O.
What is the InChIKey of (2R)-2-chloropentanal?
The InChIKey is VRJSDMNRPHLGRD-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9ClO/c1-2-3-5(6)4-7/h4-5H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-2-chloropentanal?
(2R)-2-chloropentanal has a molecular weight of 120.58 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloropentanal is sourced from PubChem (CID 23729523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).