acetyl chloride;hydron;methane;propane

C17H48ClO+ — CID 158586991

IUPACacetyl chloride;hydron;methane;propane
SMILESC.C.C.CC(=O)Cl.CCC.CCC.CCC.CCC.[H+]
InChIInChI=1S/4C3H8.C2H3ClO.3CH4/c4*1-3-2;1-2(3)4;;;/h4*3H2,1-2H3;1H3;3*1H4/p+1
InChIKeyHTYJHWSVYKNZHR-UHFFFAOYSA-O
MW304.02 g/mol
LogP8.46
Rot. Bonds

About acetyl chloride;hydron;methane;propane

acetyl chloride;hydron;methane;propane (PubChem CID 158586991) has the molecular formula C17H48ClO+ and a molecular weight of 304.02 g/mol. Its IUPAC name is acetyl chloride;hydron;methane;propane.

Molecular Properties

Compound Nameacetyl chloride;hydron;methane;propane
PubChem CID158586991
Molecular FormulaC17H48ClO+
Molecular Weight304.02 g/mol
Exact Mass303.34
IUPAC Nameacetyl chloride;hydron;methane;propane
SMILESC.C.C.CC(=O)Cl.CCC.CCC.CCC.CCC.[H+]
InChIInChI=1S/4C3H8.C2H3ClO.3CH4/c4*1-3-2;1-2(3)4;;;/h4*3H2,1-2H3;1H3;3*1H4/p+1
InChIKeyHTYJHWSVYKNZHR-UHFFFAOYSA-O
XLogP8.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.02
LogP ≤ 58.46
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

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butan-2-one;methane;propan-2-one
CID 159882043
butan-2-one;methane;propan-2-one
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Frequently Asked Questions

What is the IUPAC name of acetyl chloride;hydron;methane;propane?
The IUPAC name of acetyl chloride;hydron;methane;propane (CID 158586991) is acetyl chloride;hydron;methane;propane.
What is the SMILES notation for acetyl chloride;hydron;methane;propane?
The canonical SMILES for acetyl chloride;hydron;methane;propane is C.C.C.CC(=O)Cl.CCC.CCC.CCC.CCC.[H+].
What is the InChIKey of acetyl chloride;hydron;methane;propane?
The InChIKey is HTYJHWSVYKNZHR-UHFFFAOYSA-O. The full InChI is InChI=1S/4C3H8.C2H3ClO.3CH4/c4*1-3-2;1-2(3)4;;;/h4*3H2,1-2H3;1H3;3*1H4/p+1.
What are the key properties of acetyl chloride;hydron;methane;propane?
acetyl chloride;hydron;methane;propane has a molecular weight of 304.02 g/mol, XLogP of 8.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;hydron;methane;propane is sourced from PubChem (CID 158586991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).