2,2-dichloro-1,3-dimethoxypropane

C5H10Cl2O2 — CID 19985363

IUPAC2,2-dichloro-1,3-dimethoxypropane
SMILESCOCC(Cl)(Cl)COC
InChIInChI=1S/C5H10Cl2O2/c1-8-3-5(6,7)4-9-2/h3-4H2,1-2H3
InChIKeyQFOIGOOBRKJMJE-UHFFFAOYSA-N
MW173.04 g/mol
LogP1.45
Rot. Bonds4

About 2,2-dichloro-1,3-dimethoxypropane

2,2-dichloro-1,3-dimethoxypropane (PubChem CID 19985363) has the molecular formula C5H10Cl2O2 and a molecular weight of 173.04 g/mol. Its IUPAC name is 2,2-dichloro-1,3-dimethoxypropane.

Molecular Properties

Compound Name2,2-dichloro-1,3-dimethoxypropane
PubChem CID19985363
Molecular FormulaC5H10Cl2O2
Molecular Weight173.04 g/mol
Exact Mass172.01
IUPAC Name2,2-dichloro-1,3-dimethoxypropane
SMILESCOCC(Cl)(Cl)COC
InChIInChI=1S/C5H10Cl2O2/c1-8-3-5(6,7)4-9-2/h3-4H2,1-2H3
InChIKeyQFOIGOOBRKJMJE-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447
1,2-dichloro-3-methoxy-2-(methoxymethyl)propane
CID 19985339
1-methoxy-2,2-dimethylpentane
CID 57120820
1,2-dimethoxyethane;tetrachloromethane
CID 88843586
1-methoxy-2,2-dimethylpropane
CID 160639316
(2R)-3-methoxy-2-methylpropane-1,2-diamine
CID 94474940
1-methoxy-2,2-dimethylpropane;molecular hydrogen
CID 167547709
3,4-diethyl-3,4-bis(methoxymethyl)hexane
CID 22153406
magnesium;1-methoxy-2,2-dimethylpropane;dichloride
CID 175512317
4-methoxy-4-(methoxymethyl)heptane
CID 174395749
1-chloro-2,3-dimethoxy-2-methylpropane
CID 121288257
lithium 2-methanidyl-1,3-dimethoxy-2-methylpropane
CID 14789976

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1,3-dimethoxypropane?
The IUPAC name of 2,2-dichloro-1,3-dimethoxypropane (CID 19985363) is 2,2-dichloro-1,3-dimethoxypropane.
What is the SMILES notation for 2,2-dichloro-1,3-dimethoxypropane?
The canonical SMILES for 2,2-dichloro-1,3-dimethoxypropane is COCC(Cl)(Cl)COC.
What is the InChIKey of 2,2-dichloro-1,3-dimethoxypropane?
The InChIKey is QFOIGOOBRKJMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O2/c1-8-3-5(6,7)4-9-2/h3-4H2,1-2H3.
What are the key properties of 2,2-dichloro-1,3-dimethoxypropane?
2,2-dichloro-1,3-dimethoxypropane has a molecular weight of 173.04 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1,3-dimethoxypropane is sourced from PubChem (CID 19985363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).