acetic acid;chloromethane;methanol;hydrate

C4H13ClO4 — CID 174924395

IUPACacetic acid;chloromethane;methanol;hydrate
SMILESCC(=O)O.CCl.CO.O
InChIInChI=1S/C2H4O2.CH3Cl.CH4O.H2O/c1-2(3)4;2*1-2;/h1H3,(H,3,4);1H3;2H,1H3;1H2
InChIKeyPGYXSMUDACFAMP-UHFFFAOYSA-N
MW160.60 g/mol
LogP-0.27
Rot. Bonds

About acetic acid;chloromethane;methanol;hydrate

acetic acid;chloromethane;methanol;hydrate (PubChem CID 174924395) has the molecular formula C4H13ClO4 and a molecular weight of 160.60 g/mol. Its IUPAC name is acetic acid;chloromethane;methanol;hydrate.

Molecular Properties

Compound Nameacetic acid;chloromethane;methanol;hydrate
PubChem CID174924395
Molecular FormulaC4H13ClO4
Molecular Weight160.60 g/mol
Exact Mass160.05
IUPAC Nameacetic acid;chloromethane;methanol;hydrate
SMILESCC(=O)O.CCl.CO.O
InChIInChI=1S/C2H4O2.CH3Cl.CH4O.H2O/c1-2(3)4;2*1-2;/h1H3,(H,3,4);1H3;2H,1H3;1H2
InChIKeyPGYXSMUDACFAMP-UHFFFAOYSA-N
XLogP-0.27
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 178069783
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CID 173392510
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CID 88815533
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CID 173007307
CID 173007307
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CID 174987163

Frequently Asked Questions

What is the IUPAC name of acetic acid;chloromethane;methanol;hydrate?
The IUPAC name of acetic acid;chloromethane;methanol;hydrate (CID 174924395) is acetic acid;chloromethane;methanol;hydrate.
What is the SMILES notation for acetic acid;chloromethane;methanol;hydrate?
The canonical SMILES for acetic acid;chloromethane;methanol;hydrate is CC(=O)O.CCl.CO.O.
What is the InChIKey of acetic acid;chloromethane;methanol;hydrate?
The InChIKey is PGYXSMUDACFAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH3Cl.CH4O.H2O/c1-2(3)4;2*1-2;/h1H3,(H,3,4);1H3;2H,1H3;1H2.
What are the key properties of acetic acid;chloromethane;methanol;hydrate?
acetic acid;chloromethane;methanol;hydrate has a molecular weight of 160.60 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;chloromethane;methanol;hydrate is sourced from PubChem (CID 174924395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).