dichloromethane;methanol;propan-2-ol;hydrate

C5H16Cl2O3 — CID 18377868

IUPACdichloromethane;methanol;propan-2-ol;hydrate
SMILESCC(C)O.CO.ClCCl.O
InChIInChI=1S/C3H8O.CH2Cl2.CH4O.H2O/c1-3(2)4;2-1-3;1-2;/h3-4H,1-2H3;1H2;2H,1H3;1H2
InChIKeyMINOYOMVDNWLIQ-UHFFFAOYSA-N
MW195.09 g/mol
LogP0.59
Rot. Bonds

About dichloromethane;methanol;propan-2-ol;hydrate

dichloromethane;methanol;propan-2-ol;hydrate (PubChem CID 18377868) has the molecular formula C5H16Cl2O3 and a molecular weight of 195.09 g/mol. Its IUPAC name is dichloromethane;methanol;propan-2-ol;hydrate.

Molecular Properties

Compound Namedichloromethane;methanol;propan-2-ol;hydrate
PubChem CID18377868
Molecular FormulaC5H16Cl2O3
Molecular Weight195.09 g/mol
Exact Mass194.05
IUPAC Namedichloromethane;methanol;propan-2-ol;hydrate
SMILESCC(C)O.CO.ClCCl.O
InChIInChI=1S/C3H8O.CH2Cl2.CH4O.H2O/c1-3(2)4;2-1-3;1-2;/h3-4H,1-2H3;1H2;2H,1H3;1H2
InChIKeyMINOYOMVDNWLIQ-UHFFFAOYSA-N
XLogP0.59
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 50.59
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 dichloromethane;methanol;propan-2-ol;hydrate?
The IUPAC name of dichloromethane;methanol;propan-2-ol;hydrate (CID 18377868) is dichloromethane;methanol;propan-2-ol;hydrate.
What is the SMILES notation for dichloromethane;methanol;propan-2-ol;hydrate?
The canonical SMILES for dichloromethane;methanol;propan-2-ol;hydrate is CC(C)O.CO.ClCCl.O.
What is the InChIKey of dichloromethane;methanol;propan-2-ol;hydrate?
The InChIKey is MINOYOMVDNWLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CH2Cl2.CH4O.H2O/c1-3(2)4;2-1-3;1-2;/h3-4H,1-2H3;1H2;2H,1H3;1H2.
What are the key properties of dichloromethane;methanol;propan-2-ol;hydrate?
dichloromethane;methanol;propan-2-ol;hydrate has a molecular weight of 195.09 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methanol;propan-2-ol;hydrate is sourced from PubChem (CID 18377868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).