3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one

C10H19ClO3 — CID 103344233

IUPAC3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one
SMILESCOCCOCCC(CCCl)C(C)=O
InChIInChI=1S/C10H19ClO3/c1-9(12)10(3-5-11)4-6-14-8-7-13-2/h10H,3-8H2,1-2H3
InChIKeyBFNUOVKAZPBBIV-UHFFFAOYSA-N
MW222.71 g/mol
LogP1.87
Rot. Bonds9

About 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one

3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one (PubChem CID 103344233) has the molecular formula C10H19ClO3 and a molecular weight of 222.71 g/mol. Its IUPAC name is 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one.

Molecular Properties

Compound Name3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one
PubChem CID103344233
Molecular FormulaC10H19ClO3
Molecular Weight222.71 g/mol
Exact Mass222.10
IUPAC Name3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one
SMILESCOCCOCCC(CCCl)C(C)=O
InChIInChI=1S/C10H19ClO3/c1-9(12)10(3-5-11)4-6-14-8-7-13-2/h10H,3-8H2,1-2H3
InChIKeyBFNUOVKAZPBBIV-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)-6-methoxyhexan-2-one
CID 103344104
3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one
CID 103344126
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
3-(2-chloroethyl)-7-methyloctan-2-one
CID 103344167
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 161208459
3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one
CID 106454401

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one?
The IUPAC name of 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one (CID 103344233) is 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one.
What is the SMILES notation for 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one?
The canonical SMILES for 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one is COCCOCCC(CCCl)C(C)=O.
What is the InChIKey of 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one?
The InChIKey is BFNUOVKAZPBBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO3/c1-9(12)10(3-5-11)4-6-14-8-7-13-2/h10H,3-8H2,1-2H3.
What are the key properties of 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one?
3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one has a molecular weight of 222.71 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one is sourced from PubChem (CID 103344233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).