acetic acid;chloroform;ethyl acetate;methanol

C8H17Cl3O5 — CID 21192387

IUPACacetic acid;chloroform;ethyl acetate;methanol
SMILESCC(=O)O.CCOC(C)=O.CO.ClC(Cl)Cl
InChIInChI=1S/C4H8O2.C2H4O2.CHCl3.CH4O/c1-3-6-4(2)5;1-2(3)4;2-1(3)4;1-2/h3H2,1-2H3;1H3,(H,3,4);1H;2H,1H3
InChIKeySJQURMFMOXRSOG-UHFFFAOYSA-N
MW299.58 g/mol
LogP2.26
Rot. Bonds1

About acetic acid;chloroform;ethyl acetate;methanol

acetic acid;chloroform;ethyl acetate;methanol (PubChem CID 21192387) has the molecular formula C8H17Cl3O5 and a molecular weight of 299.58 g/mol. Its IUPAC name is acetic acid;chloroform;ethyl acetate;methanol.

Molecular Properties

Compound Nameacetic acid;chloroform;ethyl acetate;methanol
PubChem CID21192387
Molecular FormulaC8H17Cl3O5
Molecular Weight299.58 g/mol
Exact Mass298.01
IUPAC Nameacetic acid;chloroform;ethyl acetate;methanol
SMILESCC(=O)O.CCOC(C)=O.CO.ClC(Cl)Cl
InChIInChI=1S/C4H8O2.C2H4O2.CHCl3.CH4O/c1-3-6-4(2)5;1-2(3)4;2-1(3)4;1-2/h3H2,1-2H3;1H3,(H,3,4);1H;2H,1H3
InChIKeySJQURMFMOXRSOG-UHFFFAOYSA-N
XLogP2.26
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.58
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 173213410
chloroform;ethyl acetate
CID 22063688
chloroform;ethyl acetate
CID 173321498
sodium;chloroform;ethyl acetate;hydride
CID 175038469
acetic acid;ethyl acetate;methanol;hydrate
CID 22501395
acetic acid;ethyl acetate;propan-2-ol
CID 23298224
acetic acid;azane;ethyl acetate
CID 25050725
acetic acid;ethyl acetate;hydroiodide
CID 174390773
benzene;chloroform;ethyl acetate;tetrachloromethane
CID 161411340
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
acetonitrile;chloroform;ethyl acetate;methanol;propan-2-one
CID 159599505

Frequently Asked Questions

What is the IUPAC name of acetic acid;chloroform;ethyl acetate;methanol?
The IUPAC name of acetic acid;chloroform;ethyl acetate;methanol (CID 21192387) is acetic acid;chloroform;ethyl acetate;methanol.
What is the SMILES notation for acetic acid;chloroform;ethyl acetate;methanol?
The canonical SMILES for acetic acid;chloroform;ethyl acetate;methanol is CC(=O)O.CCOC(C)=O.CO.ClC(Cl)Cl.
What is the InChIKey of acetic acid;chloroform;ethyl acetate;methanol?
The InChIKey is SJQURMFMOXRSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H4O2.CHCl3.CH4O/c1-3-6-4(2)5;1-2(3)4;2-1(3)4;1-2/h3H2,1-2H3;1H3,(H,3,4);1H;2H,1H3.
What are the key properties of acetic acid;chloroform;ethyl acetate;methanol?
acetic acid;chloroform;ethyl acetate;methanol has a molecular weight of 299.58 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;chloroform;ethyl acetate;methanol is sourced from PubChem (CID 21192387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).