1,1-dichloro-2-methylpropan-1-ol;methanol

C5H12Cl2O2 — CID 20560211

IUPAC1,1-dichloro-2-methylpropan-1-ol;methanol
SMILESCC(C)C(O)(Cl)Cl.CO
InChIInChI=1S/C4H8Cl2O.CH4O/c1-3(2)4(5,6)7;1-2/h3,7H,1-2H3;2H,1H3
InChIKeyLUXZDYMJZDCPEY-UHFFFAOYSA-N
MW175.05 g/mol
LogP1.37
Rot. Bonds1

About 1,1-dichloro-2-methylpropan-1-ol;methanol

1,1-dichloro-2-methylpropan-1-ol;methanol (PubChem CID 20560211) has the molecular formula C5H12Cl2O2 and a molecular weight of 175.05 g/mol. Its IUPAC name is 1,1-dichloro-2-methylpropan-1-ol;methanol.

Molecular Properties

Compound Name1,1-dichloro-2-methylpropan-1-ol;methanol
PubChem CID20560211
Molecular FormulaC5H12Cl2O2
Molecular Weight175.05 g/mol
Exact Mass174.02
IUPAC Name1,1-dichloro-2-methylpropan-1-ol;methanol
SMILESCC(C)C(O)(Cl)Cl.CO
InChIInChI=1S/C4H8Cl2O.CH4O/c1-3(2)4(5,6)7;1-2/h3,7H,1-2H3;2H,1H3
InChIKeyLUXZDYMJZDCPEY-UHFFFAOYSA-N
XLogP1.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.05
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-methylpropan-1-ol;methanol?
The IUPAC name of 1,1-dichloro-2-methylpropan-1-ol;methanol (CID 20560211) is 1,1-dichloro-2-methylpropan-1-ol;methanol.
What is the SMILES notation for 1,1-dichloro-2-methylpropan-1-ol;methanol?
The canonical SMILES for 1,1-dichloro-2-methylpropan-1-ol;methanol is CC(C)C(O)(Cl)Cl.CO.
What is the InChIKey of 1,1-dichloro-2-methylpropan-1-ol;methanol?
The InChIKey is LUXZDYMJZDCPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O.CH4O/c1-3(2)4(5,6)7;1-2/h3,7H,1-2H3;2H,1H3.
What are the key properties of 1,1-dichloro-2-methylpropan-1-ol;methanol?
1,1-dichloro-2-methylpropan-1-ol;methanol has a molecular weight of 175.05 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-methylpropan-1-ol;methanol is sourced from PubChem (CID 20560211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).