dichloromethane;methanol;oxolane

C6H14Cl2O2 — CID 22912779

IUPACdichloromethane;methanol;oxolane
SMILESC1CCOC1.CO.ClCCl
InChIInChI=1S/C4H8O.CH2Cl2.CH4O/c1-2-4-5-3-1;2-1-3;1-2/h1-4H2;1H2;2H,1H3
InChIKeyPGUFEKRDAJQVGP-UHFFFAOYSA-N
MW189.08 g/mol
LogP1.83
Rot. Bonds

About dichloromethane;methanol;oxolane

dichloromethane;methanol;oxolane (PubChem CID 22912779) has the molecular formula C6H14Cl2O2 and a molecular weight of 189.08 g/mol. Its IUPAC name is dichloromethane;methanol;oxolane.

Molecular Properties

Compound Namedichloromethane;methanol;oxolane
PubChem CID22912779
Molecular FormulaC6H14Cl2O2
Molecular Weight189.08 g/mol
Exact Mass188.04
IUPAC Namedichloromethane;methanol;oxolane
SMILESC1CCOC1.CO.ClCCl
InChIInChI=1S/C4H8O.CH2Cl2.CH4O/c1-2-4-5-3-1;2-1-3;1-2/h1-4H2;1H2;2H,1H3
InChIKeyPGUFEKRDAJQVGP-UHFFFAOYSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 51.83
H-Bond Donors ≤ 51
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;oxolane?
The IUPAC name of dichloromethane;methanol;oxolane (CID 22912779) is dichloromethane;methanol;oxolane.
What is the SMILES notation for dichloromethane;methanol;oxolane?
The canonical SMILES for dichloromethane;methanol;oxolane is C1CCOC1.CO.ClCCl.
What is the InChIKey of dichloromethane;methanol;oxolane?
The InChIKey is PGUFEKRDAJQVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH2Cl2.CH4O/c1-2-4-5-3-1;2-1-3;1-2/h1-4H2;1H2;2H,1H3.
What are the key properties of dichloromethane;methanol;oxolane?
dichloromethane;methanol;oxolane has a molecular weight of 189.08 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methanol;oxolane is sourced from PubChem (CID 22912779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).