5-cyclopropylpentanoyl chloride

C8H13ClO — CID 21489686

IUPAC5-cyclopropylpentanoyl chloride
SMILESO=C(Cl)CCCCC1CC1
InChIInChI=1S/C8H13ClO/c9-8(10)4-2-1-3-7-5-6-7/h7H,1-6H2
InChIKeyFIEUWBBKDVDTJL-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.72
Rot. Bonds5

About 5-cyclopropylpentanoyl chloride

5-cyclopropylpentanoyl chloride (PubChem CID 21489686) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 5-cyclopropylpentanoyl chloride.

Molecular Properties

Compound Name5-cyclopropylpentanoyl chloride
PubChem CID21489686
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name5-cyclopropylpentanoyl chloride
SMILESO=C(Cl)CCCCC1CC1
InChIInChI=1S/C8H13ClO/c9-8(10)4-2-1-3-7-5-6-7/h7H,1-6H2
InChIKeyFIEUWBBKDVDTJL-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylpentanoyl chloride?
The IUPAC name of 5-cyclopropylpentanoyl chloride (CID 21489686) is 5-cyclopropylpentanoyl chloride.
What is the SMILES notation for 5-cyclopropylpentanoyl chloride?
The canonical SMILES for 5-cyclopropylpentanoyl chloride is O=C(Cl)CCCCC1CC1.
What is the InChIKey of 5-cyclopropylpentanoyl chloride?
The InChIKey is FIEUWBBKDVDTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO/c9-8(10)4-2-1-3-7-5-6-7/h7H,1-6H2.
What are the key properties of 5-cyclopropylpentanoyl chloride?
5-cyclopropylpentanoyl chloride has a molecular weight of 160.64 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylpentanoyl chloride is sourced from PubChem (CID 21489686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).