2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane

C9H15Cl3O3 — CID 91994198

IUPAC2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane
SMILESClCC(CCl)OCC(CCl)OCC1CO1
InChIInChI=1S/C9H15Cl3O3/c10-1-7(2-11)13-4-8(3-12)14-5-9-6-15-9/h7-9H,1-6H2
InChIKeyWGCIWJMZGQKIER-UHFFFAOYSA-N
MW277.58 g/mol
LogP1.87
Rot. Bonds9

About 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane

2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane (PubChem CID 91994198) has the molecular formula C9H15Cl3O3 and a molecular weight of 277.58 g/mol. Its IUPAC name is 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane
PubChem CID91994198
Molecular FormulaC9H15Cl3O3
Molecular Weight277.58 g/mol
Exact Mass276.01
IUPAC Name2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane
SMILESClCC(CCl)OCC(CCl)OCC1CO1
InChIInChI=1S/C9H15Cl3O3/c10-1-7(2-11)13-4-8(3-12)14-5-9-6-15-9/h7-9H,1-6H2
InChIKeyWGCIWJMZGQKIER-UHFFFAOYSA-N
XLogP1.87
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.58
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chlorobutan-2-yloxymethyl)oxirane
CID 58763744
(2S)-2-[[(2R)-1-chloro-3-prop-2-enoxypropan-2-yl]oxymethyl]oxirane
CID 40531294
2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane
CID 71384390
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933
2,3-bis(oxiran-2-ylmethoxy)propan-1-ol;2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane
CID 158197483
2-(propan-2-yloxymethyl)oxirane
CID 159998967
1-chloro-3-(1-chloro-3-ethoxypropan-2-yl)oxy-2-methylpropane;1-chloro-3-ethoxypropan-2-ol;tetrakis(2-[(1-chloro-3-ethoxypropan-2-yl)oxymethyl]oxirane);pentakis(cyclohexane);tris(2-(ethoxymethyl)oxirane);3-ethoxypropane-1,2-diol;oxiran-2-ylmethanol
CID 162034039
2-[[4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxymethyl]oxirane
CID 88883203
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
2-[[5,5,5-trifluoro-1-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 139989516

Frequently Asked Questions

What is the IUPAC name of 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane (CID 91994198) is 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane is ClCC(CCl)OCC(CCl)OCC1CO1.
What is the InChIKey of 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane?
The InChIKey is WGCIWJMZGQKIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl3O3/c10-1-7(2-11)13-4-8(3-12)14-5-9-6-15-9/h7-9H,1-6H2.
What are the key properties of 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane?
2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane has a molecular weight of 277.58 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 2-[[1-chloro-3-(1,3-dichloropropan-2-yloxy)propan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 91994198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).