acetyl chloride;methane

C5H15ClO — CID 161264261

IUPACacetyl chloride;methane
SMILESC.C.C.CC(=O)Cl
InChIInChI=1S/C2H3ClO.3CH4/c1-2(3)4;;;/h1H3;3*1H4
InChIKeyVCYRVWAKNPJRPW-UHFFFAOYSA-N
MW126.63 g/mol
LogP2.68
Rot. Bonds

About acetyl chloride;methane

acetyl chloride;methane (PubChem CID 161264261) has the molecular formula C5H15ClO and a molecular weight of 126.63 g/mol. Its IUPAC name is acetyl chloride;methane.

Molecular Properties

Compound Nameacetyl chloride;methane
PubChem CID161264261
Molecular FormulaC5H15ClO
Molecular Weight126.63 g/mol
Exact Mass126.08
IUPAC Nameacetyl chloride;methane
SMILESC.C.C.CC(=O)Cl
InChIInChI=1S/C2H3ClO.3CH4/c1-2(3)4;;;/h1H3;3*1H4
InChIKeyVCYRVWAKNPJRPW-UHFFFAOYSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.63
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetyl chloride;hydron;methane;propane
CID 158586991
acetyl chloride;bis(trichloroalumane)
CID 11121501
carbonyl dichloride;propan-2-one
CID 161102507
acetyl chloride;1,2-dichloroethane
CID 159411616
methane;propan-2-one;triiodovanadium
CID 159919385
2,3-dimethylbut-2-enedioyl dichloride
CID 123868279
acetyl chloride;bicyclo[2.2.1]heptane
CID 157265989
acetyl chloride;2,2-dimethylpropanamide
CID 157270629
acetic acid;2-chloro-2-oxoacetic acid
CID 162320827
carbonochloridic acid;methanol
CID 159093381
bis(carbonochloridic acid);ethane
CID 175169391
acetyl chloride;1H-pyrrole
CID 88545502

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;methane?
The IUPAC name of acetyl chloride;methane (CID 161264261) is acetyl chloride;methane.
What is the SMILES notation for acetyl chloride;methane?
The canonical SMILES for acetyl chloride;methane is C.C.C.CC(=O)Cl.
What is the InChIKey of acetyl chloride;methane?
The InChIKey is VCYRVWAKNPJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO.3CH4/c1-2(3)4;;;/h1H3;3*1H4.
What are the key properties of acetyl chloride;methane?
acetyl chloride;methane has a molecular weight of 126.63 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;methane is sourced from PubChem (CID 161264261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).