1-chloro-2,3-dimethoxy-2-methylpropane

C6H13ClO2 — CID 121288257

IUPAC1-chloro-2,3-dimethoxy-2-methylpropane
SMILESCOCC(C)(CCl)OC
InChIInChI=1S/C6H13ClO2/c1-6(4-7,9-3)5-8-2/h4-5H2,1-3H3
InChIKeyNGTZHOGPKZWFEG-UHFFFAOYSA-N
MW152.62 g/mol
LogP1.28
Rot. Bonds4

About 1-chloro-2,3-dimethoxy-2-methylpropane

1-chloro-2,3-dimethoxy-2-methylpropane (PubChem CID 121288257) has the molecular formula C6H13ClO2 and a molecular weight of 152.62 g/mol. Its IUPAC name is 1-chloro-2,3-dimethoxy-2-methylpropane.

Molecular Properties

Compound Name1-chloro-2,3-dimethoxy-2-methylpropane
PubChem CID121288257
Molecular FormulaC6H13ClO2
Molecular Weight152.62 g/mol
Exact Mass152.06
IUPAC Name1-chloro-2,3-dimethoxy-2-methylpropane
SMILESCOCC(C)(CCl)OC
InChIInChI=1S/C6H13ClO2/c1-6(4-7,9-3)5-8-2/h4-5H2,1-3H3
InChIKeyNGTZHOGPKZWFEG-UHFFFAOYSA-N
XLogP1.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 51.28
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

1,2-dichloro-3-methoxy-2-(methoxymethyl)propane
CID 19985339
2-chloro-1,3-dimethoxy-2-methylpropane
CID 10986447
1-methoxy-2,2-dimethylpropane
CID 160639316
methyl 2-(chloromethyl)-3-methoxy-2-methylpropanoate
CID 14093553
5-chloro-1-methoxy-2,2-dimethylpentane
CID 165443489
2,2-dichloro-1,3-dimethoxypropane
CID 19985363
1-methoxy-2,2-dimethylpentane
CID 57120820
1-methoxy-2,2-dimethylpropane;molecular hydrogen
CID 167547709
dichloromethane;methanol;2-methoxy-2-methylpropane
CID 87545382
magnesium;1-methoxy-2,2-dimethylpropane;dichloride
CID 175512317
1-methoxy-2-methyl-2-propoxybutane
CID 122692846
1-chloro-2,2-bis(methoxymethyl)-4-methylpentane
CID 19985334

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-dimethoxy-2-methylpropane?
The IUPAC name of 1-chloro-2,3-dimethoxy-2-methylpropane (CID 121288257) is 1-chloro-2,3-dimethoxy-2-methylpropane.
What is the SMILES notation for 1-chloro-2,3-dimethoxy-2-methylpropane?
The canonical SMILES for 1-chloro-2,3-dimethoxy-2-methylpropane is COCC(C)(CCl)OC.
What is the InChIKey of 1-chloro-2,3-dimethoxy-2-methylpropane?
The InChIKey is NGTZHOGPKZWFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO2/c1-6(4-7,9-3)5-8-2/h4-5H2,1-3H3.
What are the key properties of 1-chloro-2,3-dimethoxy-2-methylpropane?
1-chloro-2,3-dimethoxy-2-methylpropane has a molecular weight of 152.62 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-dimethoxy-2-methylpropane is sourced from PubChem (CID 121288257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).