3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one

C10H19ClO2 — CID 103344126

IUPAC3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one
SMILESCC(=O)C(CCCl)CCOC(C)C
InChIInChI=1S/C10H19ClO2/c1-8(2)13-7-5-10(4-6-11)9(3)12/h8,10H,4-7H2,1-3H3
InChIKeyPJZUZQFWKWFQTH-UHFFFAOYSA-N
MW206.71 g/mol
LogP2.64
Rot. Bonds7

About 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one

3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one (PubChem CID 103344126) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one.

Molecular Properties

Compound Name3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one
PubChem CID103344126
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one
SMILESCC(=O)C(CCCl)CCOC(C)C
InChIInChI=1S/C10H19ClO2/c1-8(2)13-7-5-10(4-6-11)9(3)12/h8,10H,4-7H2,1-3H3
InChIKeyPJZUZQFWKWFQTH-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.64
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

3-(2-chloroethyl)-5-[(2-methylpropan-2-yl)oxy]pentan-2-one
CID 103344143
3-(2-chloroethyl)-5-(2-methoxyethoxy)pentan-2-one
CID 103344233
3-(2-chloroethyl)-6-methoxyhexan-2-one
CID 103344104
3-(2-chloroethyl)-7-methyloctan-2-one
CID 103344167
3-oxo-2-(2-propan-2-yloxyethyl)butanoic acid
CID 57132762
3-(2-tert-butylsulfonylethyl)-5-chloropentan-2-one
CID 106729211
3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid
CID 83138589
3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one
CID 106454401
dichloromethane;3,5-dichloropentan-2-one
CID 174884835
ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate
CID 134571182
2-(2-propan-2-yloxyethylsulfinyl)propanoic acid
CID 61482943
methyl (2R)-2-amino-4-propan-2-yloxybutanoate
CID 94979694

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one?
The IUPAC name of 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one (CID 103344126) is 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one.
What is the SMILES notation for 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one?
The canonical SMILES for 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one is CC(=O)C(CCCl)CCOC(C)C.
What is the InChIKey of 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one?
The InChIKey is PJZUZQFWKWFQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-8(2)13-7-5-10(4-6-11)9(3)12/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one?
3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one has a molecular weight of 206.71 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-5-propan-2-yloxypentan-2-one is sourced from PubChem (CID 103344126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).