dichloromethane;ethanol;propane

C6H16Cl2O — CID 91081470

IUPACdichloromethane;ethanol;propane
SMILESCCC.CCO.ClCCl
InChIInChI=1S/C3H8.C2H6O.CH2Cl2/c1-3-2;1-2-3;2-1-3/h3H2,1-2H3;3H,2H2,1H3;1H2
InChIKeyZWDDZARTEOMSNF-UHFFFAOYSA-N
MW175.10 g/mol
LogP2.84
Rot. Bonds

About dichloromethane;ethanol;propane

dichloromethane;ethanol;propane (PubChem CID 91081470) has the molecular formula C6H16Cl2O and a molecular weight of 175.10 g/mol. Its IUPAC name is dichloromethane;ethanol;propane.

Molecular Properties

Compound Namedichloromethane;ethanol;propane
PubChem CID91081470
Molecular FormulaC6H16Cl2O
Molecular Weight175.10 g/mol
Exact Mass174.06
IUPAC Namedichloromethane;ethanol;propane
SMILESCCC.CCO.ClCCl
InChIInChI=1S/C3H8.C2H6O.CH2Cl2/c1-3-2;1-2-3;2-1-3/h3H2,1-2H3;3H,2H2,1H3;1H2
InChIKeyZWDDZARTEOMSNF-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(dichloromethane);ethanol
CID 173133472
CID 91016120
CID 91016120
ethanol;propane
CID 158736248
dichloromethane;N,N-diethylethanamine;ethanol
CID 22350034
CID 11759588
CID 11759588
ethanol;methanol
CID 157119827
ethanol iodide
CID 22987629
(dichloromethane);methanol
CID 173151406
ethanol;stibane
CID 170920077
ethanol;phosphane
CID 159788730
ethanol;hydron
CID 174459614
ethanol;tin(2+)
CID 162004830

Frequently Asked Questions

What is the IUPAC name of dichloromethane;ethanol;propane?
The IUPAC name of dichloromethane;ethanol;propane (CID 91081470) is dichloromethane;ethanol;propane.
What is the SMILES notation for dichloromethane;ethanol;propane?
The canonical SMILES for dichloromethane;ethanol;propane is CCC.CCO.ClCCl.
What is the InChIKey of dichloromethane;ethanol;propane?
The InChIKey is ZWDDZARTEOMSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H6O.CH2Cl2/c1-3-2;1-2-3;2-1-3/h3H2,1-2H3;3H,2H2,1H3;1H2.
What are the key properties of dichloromethane;ethanol;propane?
dichloromethane;ethanol;propane has a molecular weight of 175.10 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;ethanol;propane is sourced from PubChem (CID 91081470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).