1,3-dichloro-2-(methoxymethoxy)propane

C5H10Cl2O2 — CID 5323878

IUPAC1,3-dichloro-2-(methoxymethoxy)propane
SMILESCOCOC(CCl)CCl
InChIInChI=1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3
InChIKeyGEGJQMIXBNYSQG-UHFFFAOYSA-N
MW173.04 g/mol
LogP1.45
Rot. Bonds5

About 1,3-dichloro-2-(methoxymethoxy)propane

1,3-dichloro-2-(methoxymethoxy)propane (PubChem CID 5323878) has the molecular formula C5H10Cl2O2 and a molecular weight of 173.04 g/mol. Its IUPAC name is 1,3-dichloro-2-(methoxymethoxy)propane.

Molecular Properties

Compound Name1,3-dichloro-2-(methoxymethoxy)propane
PubChem CID5323878
Molecular FormulaC5H10Cl2O2
Molecular Weight173.04 g/mol
Exact Mass172.01
IUPAC Name1,3-dichloro-2-(methoxymethoxy)propane
SMILESCOCOC(CCl)CCl
InChIInChI=1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3
InChIKeyGEGJQMIXBNYSQG-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,3-tris(methoxymethoxy)propane
CID 54530137
1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane
CID 158750835
1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane
CID 57109764
1-(1,3-dichloropropan-2-yloxymethoxy)pentane
CID 134986505
1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
CID 71441962
5-methoxy-3-(methoxymethoxy)pentan-1-ol
CID 146175623
1-chloro-2-methoxybutane
CID 20783140
2-(methoxymethoxy)-3-methylbutane
CID 59908312
4-[(1R)-1-(methoxymethoxy)ethyl]-1,3-oxazole
CID 125492543
3,4-bis(methoxymethoxy)butanenitrile
CID 139834597
(2R,3R)-2,3-bis(methoxymethoxy)butane-1,4-diol
CID 11063695
1-(methoxymethoxy)-N,N-bis[1-(methoxymethoxy)ethyl]ethanamine
CID 22340887

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(methoxymethoxy)propane?
The IUPAC name of 1,3-dichloro-2-(methoxymethoxy)propane (CID 5323878) is 1,3-dichloro-2-(methoxymethoxy)propane.
What is the SMILES notation for 1,3-dichloro-2-(methoxymethoxy)propane?
The canonical SMILES for 1,3-dichloro-2-(methoxymethoxy)propane is COCOC(CCl)CCl.
What is the InChIKey of 1,3-dichloro-2-(methoxymethoxy)propane?
The InChIKey is GEGJQMIXBNYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3.
What are the key properties of 1,3-dichloro-2-(methoxymethoxy)propane?
1,3-dichloro-2-(methoxymethoxy)propane has a molecular weight of 173.04 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(methoxymethoxy)propane is sourced from PubChem (CID 5323878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).