1,2-dichloroethane;propan-1-ol;propan-2-one

C8H18Cl2O2 — CID 88821608

IUPAC1,2-dichloroethane;propan-1-ol;propan-2-one
SMILESCC(C)=O.CCCO.ClCCCl
InChIInChI=1S/C3H6O.C3H8O.C2H4Cl2/c1-3(2)4;1-2-3-4;3-1-2-4/h1-2H3;4H,2-3H2,1H3;1-2H2
InChIKeyKAJMOJUSDSHMMZ-UHFFFAOYSA-N
MW217.14 g/mol
LogP2.45
Rot. Bonds2

About 1,2-dichloroethane;propan-1-ol;propan-2-one

1,2-dichloroethane;propan-1-ol;propan-2-one (PubChem CID 88821608) has the molecular formula C8H18Cl2O2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1,2-dichloroethane;propan-1-ol;propan-2-one.

Molecular Properties

Compound Name1,2-dichloroethane;propan-1-ol;propan-2-one
PubChem CID88821608
Molecular FormulaC8H18Cl2O2
Molecular Weight217.14 g/mol
Exact Mass216.07
IUPAC Name1,2-dichloroethane;propan-1-ol;propan-2-one
SMILESCC(C)=O.CCCO.ClCCCl
InChIInChI=1S/C3H6O.C3H8O.C2H4Cl2/c1-3(2)4;1-2-3-4;3-1-2-4/h1-2H3;4H,2-3H2,1H3;1-2H2
InChIKeyKAJMOJUSDSHMMZ-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 52.45
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

acetic acid;1-chloropropane
CID 162052108
1-chloropentane;propan-2-one
CID 174417344
acetyl chloride;1,2-dichloroethane
CID 159411616
carbonic acid;propan-1-ol
CID 87687313
bis(ethane-1,2-diol);bis(propan-2-one)
CID 158462178
acetic acid;1-chloropropane;hydrate
CID 174960727
bis(butan-1-ol);hafnium;bis(propan-2-one)
CID 174752199
3-acetylpentane-2,4-dione;bis(propan-1-ol);titanium
CID 159267821
acetic acid;1-chlorobutane
CID 88522139
nickel;propan-1-ol
CID 22476953
propan-1-ol;hydroiodide
CID 126649388
bis(propan-1-ol);yttrium
CID 20652670

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethane;propan-1-ol;propan-2-one?
The IUPAC name of 1,2-dichloroethane;propan-1-ol;propan-2-one (CID 88821608) is 1,2-dichloroethane;propan-1-ol;propan-2-one.
What is the SMILES notation for 1,2-dichloroethane;propan-1-ol;propan-2-one?
The canonical SMILES for 1,2-dichloroethane;propan-1-ol;propan-2-one is CC(C)=O.CCCO.ClCCCl.
What is the InChIKey of 1,2-dichloroethane;propan-1-ol;propan-2-one?
The InChIKey is KAJMOJUSDSHMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C3H8O.C2H4Cl2/c1-3(2)4;1-2-3-4;3-1-2-4/h1-2H3;4H,2-3H2,1H3;1-2H2.
What are the key properties of 1,2-dichloroethane;propan-1-ol;propan-2-one?
1,2-dichloroethane;propan-1-ol;propan-2-one has a molecular weight of 217.14 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethane;propan-1-ol;propan-2-one is sourced from PubChem (CID 88821608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).