8,8-dimethylnonanoyl chloride

C11H21ClO — CID 154269642

IUPAC8,8-dimethylnonanoyl chloride
SMILESCC(C)(C)CCCCCCC(=O)Cl
InChIInChI=1S/C11H21ClO/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3
InChIKeyBMWIYULREZREPJ-UHFFFAOYSA-N
MW204.74 g/mol
LogP4.14
Rot. Bonds6

About 8,8-dimethylnonanoyl chloride

8,8-dimethylnonanoyl chloride (PubChem CID 154269642) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 8,8-dimethylnonanoyl chloride.

Molecular Properties

Compound Name8,8-dimethylnonanoyl chloride
PubChem CID154269642
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name8,8-dimethylnonanoyl chloride
SMILESCC(C)(C)CCCCCCC(=O)Cl
InChIInChI=1S/C11H21ClO/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3
InChIKeyBMWIYULREZREPJ-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 54.14
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 8,8-dimethylnonanoyl chloride?
The IUPAC name of 8,8-dimethylnonanoyl chloride (CID 154269642) is 8,8-dimethylnonanoyl chloride.
What is the SMILES notation for 8,8-dimethylnonanoyl chloride?
The canonical SMILES for 8,8-dimethylnonanoyl chloride is CC(C)(C)CCCCCCC(=O)Cl.
What is the InChIKey of 8,8-dimethylnonanoyl chloride?
The InChIKey is BMWIYULREZREPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-11(2,3)9-7-5-4-6-8-10(12)13/h4-9H2,1-3H3.
What are the key properties of 8,8-dimethylnonanoyl chloride?
8,8-dimethylnonanoyl chloride has a molecular weight of 204.74 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethylnonanoyl chloride is sourced from PubChem (CID 154269642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).