(4R)-4-(dichloromethyl)-4-methyloxetan-2-one

C5H6Cl2O2 — CID 131848322

IUPAC(4R)-4-(dichloromethyl)-4-methyloxetan-2-one
SMILESC[C@]1(C(Cl)Cl)CC(=O)O1
InChIInChI=1S/C5H6Cl2O2/c1-5(4(6)7)2-3(8)9-5/h4H,2H2,1H3/t5-/m1/s1
InChIKeyWXVKMGBXMWLRST-RXMQYKEDSA-N
MW169.01 g/mol
LogP1.50
Rot. Bonds1

About (4R)-4-(dichloromethyl)-4-methyloxetan-2-one

(4R)-4-(dichloromethyl)-4-methyloxetan-2-one (PubChem CID 131848322) has the molecular formula C5H6Cl2O2 and a molecular weight of 169.01 g/mol. Its IUPAC name is (4R)-4-(dichloromethyl)-4-methyloxetan-2-one.

Molecular Properties

Compound Name(4R)-4-(dichloromethyl)-4-methyloxetan-2-one
PubChem CID131848322
Molecular FormulaC5H6Cl2O2
Molecular Weight169.01 g/mol
Exact Mass167.97
IUPAC Name(4R)-4-(dichloromethyl)-4-methyloxetan-2-one
SMILESC[C@]1(C(Cl)Cl)CC(=O)O1
InChIInChI=1S/C5H6Cl2O2/c1-5(4(6)7)2-3(8)9-5/h4H,2H2,1H3/t5-/m1/s1
InChIKeyWXVKMGBXMWLRST-RXMQYKEDSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one
CID 5325909
4,4,5,5-tetramethyloxolan-2-one
CID 547832
2,2,6-trihydroxy-1-methyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141021336
(4S)-4-methyl-4-(3,5,7-trimethyl-1-adamantyl)oxetan-2-one
CID 7123511
4-chloro-4-(trifluoromethyl)oxetan-2-one
CID 11052158
2-(1-chloroethyl)-2-methyloxirane
CID 15212719
(1S,4R)-1,4,7,7-tetramethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 59110969
5-(1-bromoethyl)-5-methyloxolan-2-one
CID 130020859
(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979
4-fluoro-4-methyl-1,6-dioxaspiro[4.4]nonane-2,7-dione
CID 89419588
(2R,5S)-2-tert-butyl-5-(dichloromethyl)-5-hydroxy-2-methyloxolan-3-one
CID 878019
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(dichloromethyl)-4-methyloxetan-2-one?
The IUPAC name of (4R)-4-(dichloromethyl)-4-methyloxetan-2-one (CID 131848322) is (4R)-4-(dichloromethyl)-4-methyloxetan-2-one.
What is the SMILES notation for (4R)-4-(dichloromethyl)-4-methyloxetan-2-one?
The canonical SMILES for (4R)-4-(dichloromethyl)-4-methyloxetan-2-one is C[C@]1(C(Cl)Cl)CC(=O)O1.
What is the InChIKey of (4R)-4-(dichloromethyl)-4-methyloxetan-2-one?
The InChIKey is WXVKMGBXMWLRST-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H6Cl2O2/c1-5(4(6)7)2-3(8)9-5/h4H,2H2,1H3/t5-/m1/s1.
What are the key properties of (4R)-4-(dichloromethyl)-4-methyloxetan-2-one?
(4R)-4-(dichloromethyl)-4-methyloxetan-2-one has a molecular weight of 169.01 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(dichloromethyl)-4-methyloxetan-2-one is sourced from PubChem (CID 131848322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).