dec-9-enoyl chloride

C10H17ClO — CID 11084623

IUPACdec-9-enoyl chloride
SMILESC=CCCCCCCCC(=O)Cl
InChIInChI=1S/C10H17ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2
InChIKeyIKUCZBBSELVBOO-UHFFFAOYSA-N
MW188.70 g/mol
LogP3.67
Rot. Bonds8

About dec-9-enoyl chloride

dec-9-enoyl chloride (PubChem CID 11084623) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is dec-9-enoyl chloride.

Molecular Properties

Compound Namedec-9-enoyl chloride
PubChem CID11084623
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Namedec-9-enoyl chloride
SMILESC=CCCCCCCCC(=O)Cl
InChIInChI=1S/C10H17ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2
InChIKeyIKUCZBBSELVBOO-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 53.67
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dec-9-enoyl chloride?
The IUPAC name of dec-9-enoyl chloride (CID 11084623) is dec-9-enoyl chloride.
What is the SMILES notation for dec-9-enoyl chloride?
The canonical SMILES for dec-9-enoyl chloride is C=CCCCCCCCC(=O)Cl.
What is the InChIKey of dec-9-enoyl chloride?
The InChIKey is IKUCZBBSELVBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2.
What are the key properties of dec-9-enoyl chloride?
dec-9-enoyl chloride has a molecular weight of 188.70 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enoyl chloride is sourced from PubChem (CID 11084623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).