dichloromethane;methanol;2-methoxy-2-methylpropane

C7H18Cl2O2 — CID 87545382

IUPACdichloromethane;methanol;2-methoxy-2-methylpropane
SMILESCO.COC(C)(C)C.ClCCl
InChIInChI=1S/C5H12O.CH2Cl2.CH4O/c1-5(2,3)6-4;2-1-3;1-2/h1-4H3;1H2;2H,1H3
InChIKeyMSUFXFLLQNIPPN-UHFFFAOYSA-N
MW205.12 g/mol
LogP2.46
Rot. Bonds

About dichloromethane;methanol;2-methoxy-2-methylpropane

dichloromethane;methanol;2-methoxy-2-methylpropane (PubChem CID 87545382) has the molecular formula C7H18Cl2O2 and a molecular weight of 205.12 g/mol. Its IUPAC name is dichloromethane;methanol;2-methoxy-2-methylpropane.

Molecular Properties

Compound Namedichloromethane;methanol;2-methoxy-2-methylpropane
PubChem CID87545382
Molecular FormulaC7H18Cl2O2
Molecular Weight205.12 g/mol
Exact Mass204.07
IUPAC Namedichloromethane;methanol;2-methoxy-2-methylpropane
SMILESCO.COC(C)(C)C.ClCCl
InChIInChI=1S/C5H12O.CH2Cl2.CH4O/c1-5(2,3)6-4;2-1-3;1-2/h1-4H3;1H2;2H,1H3
InChIKeyMSUFXFLLQNIPPN-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.12
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydron;2-methoxy-2-methylpropane
CID 174107716
2-methoxy-2-methylpropane;hydrate
CID 23212559
(dichloromethane);methanol
CID 173151406
(dichloromethane);methanol
CID 173026294
(dichloromethane);methanol
CID 173499764
hydrazine;2-methoxy-2-methylpropane
CID 158568740
dichloromethane;2-methylpropan-2-ol
CID 18914702
2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
CID 156562872
dichloromethane;methane;methanol
CID 161268863
azane;bis(dichloromethane);methanol
CID 173301949
3,3-dichloropropan-1-ol;2-methoxy-2-methylpropane
CID 175391968
2-methoxy-2-methylpropane;pentan-3-one
CID 87285903

Frequently Asked Questions

What is the IUPAC name of dichloromethane;methanol;2-methoxy-2-methylpropane?
The IUPAC name of dichloromethane;methanol;2-methoxy-2-methylpropane (CID 87545382) is dichloromethane;methanol;2-methoxy-2-methylpropane.
What is the SMILES notation for dichloromethane;methanol;2-methoxy-2-methylpropane?
The canonical SMILES for dichloromethane;methanol;2-methoxy-2-methylpropane is CO.COC(C)(C)C.ClCCl.
What is the InChIKey of dichloromethane;methanol;2-methoxy-2-methylpropane?
The InChIKey is MSUFXFLLQNIPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.CH2Cl2.CH4O/c1-5(2,3)6-4;2-1-3;1-2/h1-4H3;1H2;2H,1H3.
What are the key properties of dichloromethane;methanol;2-methoxy-2-methylpropane?
dichloromethane;methanol;2-methoxy-2-methylpropane has a molecular weight of 205.12 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methanol;2-methoxy-2-methylpropane is sourced from PubChem (CID 87545382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).