4-ethyloctanoyl chloride

C10H19ClO — CID 91570267

IUPAC4-ethyloctanoyl chloride
SMILESCCCCC(CC)CCC(=O)Cl
InChIInChI=1S/C10H19ClO/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3
InChIKeyXXYVBRVNVXKLFN-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.75
Rot. Bonds7

About 4-ethyloctanoyl chloride

4-ethyloctanoyl chloride (PubChem CID 91570267) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 4-ethyloctanoyl chloride.

Molecular Properties

Compound Name4-ethyloctanoyl chloride
PubChem CID91570267
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name4-ethyloctanoyl chloride
SMILESCCCCC(CC)CCC(=O)Cl
InChIInChI=1S/C10H19ClO/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3
InChIKeyXXYVBRVNVXKLFN-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyloctanoyl chloride?
The IUPAC name of 4-ethyloctanoyl chloride (CID 91570267) is 4-ethyloctanoyl chloride.
What is the SMILES notation for 4-ethyloctanoyl chloride?
The canonical SMILES for 4-ethyloctanoyl chloride is CCCCC(CC)CCC(=O)Cl.
What is the InChIKey of 4-ethyloctanoyl chloride?
The InChIKey is XXYVBRVNVXKLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3.
What are the key properties of 4-ethyloctanoyl chloride?
4-ethyloctanoyl chloride has a molecular weight of 190.71 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloctanoyl chloride is sourced from PubChem (CID 91570267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).