butanoic acid;chloroform;formic acid;methanol

C7H15Cl3O5 — CID 173168917

IUPACbutanoic acid;chloroform;formic acid;methanol
SMILESCCCC(=O)O.CO.ClC(Cl)Cl.O=CO
InChIInChI=1S/C4H8O2.CHCl3.CH2O2.CH4O/c1-2-3-4(5)6;2-1(3)4;2-1-3;1-2/h2-3H2,1H3,(H,5,6);1H;1H,(H,2,3);2H,1H3
InChIKeyOWRFCNWJFUVPSA-UHFFFAOYSA-N
MW285.55 g/mol
LogP2.17
Rot. Bonds2

About butanoic acid;chloroform;formic acid;methanol

butanoic acid;chloroform;formic acid;methanol (PubChem CID 173168917) has the molecular formula C7H15Cl3O5 and a molecular weight of 285.55 g/mol. Its IUPAC name is butanoic acid;chloroform;formic acid;methanol.

Molecular Properties

Compound Namebutanoic acid;chloroform;formic acid;methanol
PubChem CID173168917
Molecular FormulaC7H15Cl3O5
Molecular Weight285.55 g/mol
Exact Mass284.00
IUPAC Namebutanoic acid;chloroform;formic acid;methanol
SMILESCCCC(=O)O.CO.ClC(Cl)Cl.O=CO
InChIInChI=1S/C4H8O2.CHCl3.CH2O2.CH4O/c1-2-3-4(5)6;2-1(3)4;2-1-3;1-2/h2-3H2,1H3,(H,5,6);1H;1H,(H,2,3);2H,1H3
InChIKeyOWRFCNWJFUVPSA-UHFFFAOYSA-N
XLogP2.17
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175897781
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CID 87408506
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CID 57425269
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CID 175057491
CID 88693438
CID 88693438

Frequently Asked Questions

What is the IUPAC name of butanoic acid;chloroform;formic acid;methanol?
The IUPAC name of butanoic acid;chloroform;formic acid;methanol (CID 173168917) is butanoic acid;chloroform;formic acid;methanol.
What is the SMILES notation for butanoic acid;chloroform;formic acid;methanol?
The canonical SMILES for butanoic acid;chloroform;formic acid;methanol is CCCC(=O)O.CO.ClC(Cl)Cl.O=CO.
What is the InChIKey of butanoic acid;chloroform;formic acid;methanol?
The InChIKey is OWRFCNWJFUVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CHCl3.CH2O2.CH4O/c1-2-3-4(5)6;2-1(3)4;2-1-3;1-2/h2-3H2,1H3,(H,5,6);1H;1H,(H,2,3);2H,1H3.
What are the key properties of butanoic acid;chloroform;formic acid;methanol?
butanoic acid;chloroform;formic acid;methanol has a molecular weight of 285.55 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;chloroform;formic acid;methanol is sourced from PubChem (CID 173168917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).