2-(1-chlorobutan-2-yloxymethyl)oxirane

C7H13ClO2 — CID 58763744

IUPAC2-(1-chlorobutan-2-yloxymethyl)oxirane
SMILESCCC(CCl)OCC1CO1
InChIInChI=1S/C7H13ClO2/c1-2-6(3-8)9-4-7-5-10-7/h6-7H,2-5H2,1H3
InChIKeyUWGHBMDDXFFSLU-UHFFFAOYSA-N
MW164.63 g/mol
LogP1.42
Rot. Bonds5

About 2-(1-chlorobutan-2-yloxymethyl)oxirane

2-(1-chlorobutan-2-yloxymethyl)oxirane (PubChem CID 58763744) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 2-(1-chlorobutan-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(1-chlorobutan-2-yloxymethyl)oxirane
PubChem CID58763744
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name2-(1-chlorobutan-2-yloxymethyl)oxirane
SMILESCCC(CCl)OCC1CO1
InChIInChI=1S/C7H13ClO2/c1-2-6(3-8)9-4-7-5-10-7/h6-7H,2-5H2,1H3
InChIKeyUWGHBMDDXFFSLU-UHFFFAOYSA-N
XLogP1.42
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-chlorobutan-2-yloxymethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane
CID 91994198
2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane
CID 71384390
2-[1-[4-[2-(oxiran-2-ylmethoxy)butyl]phenyl]butan-2-yloxymethyl]oxirane
CID 174820293
4-(oxiran-2-ylmethoxy)hexylsilane
CID 174850618
CID 18963638
CID 18963638
CID 156703018
CID 156703018
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344
(2S)-2-[[(2R)-1-chloro-3-prop-2-enoxypropan-2-yl]oxymethyl]oxirane
CID 40531294
2-[(7-ethyl-5,5,7-trimethylnonan-3-yl)oxymethyl]oxirane
CID 89079349
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-(propan-2-yloxymethyl)oxirane
CID 159998967
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775

Frequently Asked Questions

What is the IUPAC name of 2-(1-chlorobutan-2-yloxymethyl)oxirane?
The IUPAC name of 2-(1-chlorobutan-2-yloxymethyl)oxirane (CID 58763744) is 2-(1-chlorobutan-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(1-chlorobutan-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(1-chlorobutan-2-yloxymethyl)oxirane is CCC(CCl)OCC1CO1.
What is the InChIKey of 2-(1-chlorobutan-2-yloxymethyl)oxirane?
The InChIKey is UWGHBMDDXFFSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2/c1-2-6(3-8)9-4-7-5-10-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-(1-chlorobutan-2-yloxymethyl)oxirane?
2-(1-chlorobutan-2-yloxymethyl)oxirane has a molecular weight of 164.63 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chlorobutan-2-yloxymethyl)oxirane is sourced from PubChem (CID 58763744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).