8,8-dimethyl-5,6-dioxononanoyl chloride

C11H17ClO3 — CID 151472266

IUPAC8,8-dimethyl-5,6-dioxononanoyl chloride
SMILESCC(C)(C)CC(=O)C(=O)CCCC(=O)Cl
InChIInChI=1S/C11H17ClO3/c1-11(2,3)7-9(14)8(13)5-4-6-10(12)15/h4-7H2,1-3H3
InChIKeyPKSJZIVSSVHASG-UHFFFAOYSA-N
MW232.71 g/mol
LogP2.50
Rot. Bonds6

About 8,8-dimethyl-5,6-dioxononanoyl chloride

8,8-dimethyl-5,6-dioxononanoyl chloride (PubChem CID 151472266) has the molecular formula C11H17ClO3 and a molecular weight of 232.71 g/mol. Its IUPAC name is 8,8-dimethyl-5,6-dioxononanoyl chloride.

Molecular Properties

Compound Name8,8-dimethyl-5,6-dioxononanoyl chloride
PubChem CID151472266
Molecular FormulaC11H17ClO3
Molecular Weight232.71 g/mol
Exact Mass232.09
IUPAC Name8,8-dimethyl-5,6-dioxononanoyl chloride
SMILESCC(C)(C)CC(=O)C(=O)CCCC(=O)Cl
InChIInChI=1S/C11H17ClO3/c1-11(2,3)7-9(14)8(13)5-4-6-10(12)15/h4-7H2,1-3H3
InChIKeyPKSJZIVSSVHASG-UHFFFAOYSA-N
XLogP2.50
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

7,7-dimethyl-5,6-dioxooctanoyl chloride
CID 150924654
8,8-dimethylnonanoyl chloride
CID 154269642
5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride
CID 87415170
pentanoyl chloride;hydrofluoride
CID 174423538
nonadecanoyl chloride
CID 4250939
2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
2-fluoro-2-methylbutanedioyl dichloride
CID 19349889
N,N,4,4-tetramethyl-2-oxopentanamide
CID 158996927
pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine
CID 146255266
3-chloro-3-methylbutanoyl chloride
CID 11344131
1-methylethane-1,1,2-tricarbonyl chloride
CID 140524572
hexadecakis(3,3-dimethylbutanoate);tetrakis(hafnium(4+))
CID 139142532

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5,6-dioxononanoyl chloride?
The IUPAC name of 8,8-dimethyl-5,6-dioxononanoyl chloride (CID 151472266) is 8,8-dimethyl-5,6-dioxononanoyl chloride.
What is the SMILES notation for 8,8-dimethyl-5,6-dioxononanoyl chloride?
The canonical SMILES for 8,8-dimethyl-5,6-dioxononanoyl chloride is CC(C)(C)CC(=O)C(=O)CCCC(=O)Cl.
What is the InChIKey of 8,8-dimethyl-5,6-dioxononanoyl chloride?
The InChIKey is PKSJZIVSSVHASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO3/c1-11(2,3)7-9(14)8(13)5-4-6-10(12)15/h4-7H2,1-3H3.
What are the key properties of 8,8-dimethyl-5,6-dioxononanoyl chloride?
8,8-dimethyl-5,6-dioxononanoyl chloride has a molecular weight of 232.71 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5,6-dioxononanoyl chloride is sourced from PubChem (CID 151472266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).