1,2-dichloro-3-methoxy-2-(methoxymethyl)propane

C6H12Cl2O2 — CID 19985339

IUPAC1,2-dichloro-3-methoxy-2-(methoxymethyl)propane
SMILESCOCC(Cl)(CCl)COC
InChIInChI=1S/C6H12Cl2O2/c1-9-4-6(8,3-7)5-10-2/h3-5H2,1-2H3
InChIKeySZAAPHNTVMBVAT-UHFFFAOYSA-N
MW187.07 g/mol
LogP1.50
Rot. Bonds5

About 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane

1,2-dichloro-3-methoxy-2-(methoxymethyl)propane (PubChem CID 19985339) has the molecular formula C6H12Cl2O2 and a molecular weight of 187.07 g/mol. Its IUPAC name is 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane.

Molecular Properties

Compound Name1,2-dichloro-3-methoxy-2-(methoxymethyl)propane
PubChem CID19985339
Molecular FormulaC6H12Cl2O2
Molecular Weight187.07 g/mol
Exact Mass186.02
IUPAC Name1,2-dichloro-3-methoxy-2-(methoxymethyl)propane
SMILESCOCC(Cl)(CCl)COC
InChIInChI=1S/C6H12Cl2O2/c1-9-4-6(8,3-7)5-10-2/h3-5H2,1-2H3
InChIKeySZAAPHNTVMBVAT-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 51.50
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

2,2-dichloro-1,3-dimethoxypropane
CID 19985363
2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447
1-chloro-2,3-dimethoxy-2-methylpropane
CID 121288257
5-chloro-1-methoxy-2,2-dimethylpentane
CID 165443489
1-chloro-2,2-bis(methoxymethyl)-4-methylpentane
CID 19985334
methyl 2-(chloromethyl)-3-methoxy-2-methylpropanoate
CID 14093553
1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane
CID 19858274
1,1,2-trimethoxyethanamine
CID 54365567
1,2-dimethoxyethane;tetrachloromethane
CID 88843586
1-methoxy-2,2-dimethylpropane
CID 160639316
1,5-dichloro-3-(methoxymethyl)pentan-3-amine
CID 87883260
1,1,1,2-tetrachloroethane
CID 12418

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane?
The IUPAC name of 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane (CID 19985339) is 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane.
What is the SMILES notation for 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane?
The canonical SMILES for 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane is COCC(Cl)(CCl)COC.
What is the InChIKey of 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane?
The InChIKey is SZAAPHNTVMBVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O2/c1-9-4-6(8,3-7)5-10-2/h3-5H2,1-2H3.
What are the key properties of 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane?
1,2-dichloro-3-methoxy-2-(methoxymethyl)propane has a molecular weight of 187.07 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-methoxy-2-(methoxymethyl)propane is sourced from PubChem (CID 19985339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).