5-chloro-1-ethoxypentan-2-one

C7H13ClO2 — CID 79566492

IUPAC5-chloro-1-ethoxypentan-2-one
SMILESCCOCC(=O)CCCCl
InChIInChI=1S/C7H13ClO2/c1-2-10-6-7(9)4-3-5-8/h2-6H2,1H3
InChIKeyPZHHZLGRHXAFLW-UHFFFAOYSA-N
MW164.63 g/mol
LogP1.61
Rot. Bonds6

About 5-chloro-1-ethoxypentan-2-one

5-chloro-1-ethoxypentan-2-one (PubChem CID 79566492) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 5-chloro-1-ethoxypentan-2-one.

Molecular Properties

Compound Name5-chloro-1-ethoxypentan-2-one
PubChem CID79566492
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name5-chloro-1-ethoxypentan-2-one
SMILESCCOCC(=O)CCCCl
InChIInChI=1S/C7H13ClO2/c1-2-10-6-7(9)4-3-5-8/h2-6H2,1H3
InChIKeyPZHHZLGRHXAFLW-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-amino-1-ethoxyhexan-2-one
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4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
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1-(2-ethoxyethoxy)-6,6-dimethylheptan-2-one
CID 158892441
dichloromethane;2-ethoxyacetic acid
CID 87359195
1,9-diethoxynonan-5-one
CID 150666797
5-chloro-1-[[3-[3-[(5-chloro-2-oxopentoxy)methyl]phenyl]phenyl]methoxy]pentan-2-one
CID 139956007
1-hexoxyundecan-2-one
CID 57063853
12-chlorododecan-6-one
CID 162712835
methyl 4-ethoxy-3-oxobutanoate
CID 54303951

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethoxypentan-2-one?
The IUPAC name of 5-chloro-1-ethoxypentan-2-one (CID 79566492) is 5-chloro-1-ethoxypentan-2-one.
What is the SMILES notation for 5-chloro-1-ethoxypentan-2-one?
The canonical SMILES for 5-chloro-1-ethoxypentan-2-one is CCOCC(=O)CCCCl.
What is the InChIKey of 5-chloro-1-ethoxypentan-2-one?
The InChIKey is PZHHZLGRHXAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2/c1-2-10-6-7(9)4-3-5-8/h2-6H2,1H3.
What are the key properties of 5-chloro-1-ethoxypentan-2-one?
5-chloro-1-ethoxypentan-2-one has a molecular weight of 164.63 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethoxypentan-2-one is sourced from PubChem (CID 79566492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).