7,7-dimethyl-5,6-dioxooctanoyl chloride

C10H15ClO3 — CID 150924654

IUPAC7,7-dimethyl-5,6-dioxooctanoyl chloride
SMILESCC(C)(C)C(=O)C(=O)CCCC(=O)Cl
InChIInChI=1S/C10H15ClO3/c1-10(2,3)9(14)7(12)5-4-6-8(11)13/h4-6H2,1-3H3
InChIKeyLETOYHGGAVJJHA-UHFFFAOYSA-N
MW218.68 g/mol
LogP2.11
Rot. Bonds5

About 7,7-dimethyl-5,6-dioxooctanoyl chloride

7,7-dimethyl-5,6-dioxooctanoyl chloride (PubChem CID 150924654) has the molecular formula C10H15ClO3 and a molecular weight of 218.68 g/mol. Its IUPAC name is 7,7-dimethyl-5,6-dioxooctanoyl chloride.

Molecular Properties

Compound Name7,7-dimethyl-5,6-dioxooctanoyl chloride
PubChem CID150924654
Molecular FormulaC10H15ClO3
Molecular Weight218.68 g/mol
Exact Mass218.07
IUPAC Name7,7-dimethyl-5,6-dioxooctanoyl chloride
SMILESCC(C)(C)C(=O)C(=O)CCCC(=O)Cl
InChIInChI=1S/C10H15ClO3/c1-10(2,3)9(14)7(12)5-4-6-8(11)13/h4-6H2,1-3H3
InChIKeyLETOYHGGAVJJHA-UHFFFAOYSA-N
XLogP2.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 52.11
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'}

Analyze 7,7-dimethyl-5,6-dioxooctanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-dimethyl-5,6-dioxononanoyl chloride
CID 151472266
2,2-dimethylpentadecane-3,4,10-trione
CID 90697846
8,8-dimethylnonanoyl chloride
CID 154269642
5-[hydroxy(dimethyl)silyl]-5-methylhexanoyl chloride
CID 87415170
pentanoyl chloride;hydrofluoride
CID 174423538
nonadecanoyl chloride
CID 4250939
(3-chloro-3-oxopropyl) 2,2-dimethylpropanoate
CID 135073492
pentanedioyl dichloride;2,4,6-trichloro-1,3,5-triazine
CID 146255266
6-(tert-butyldisulfanyl)hexanoyl chloride
CID 10354990
(6S)-5,5-dimethyl-6-(methylamino)heptanoyl chloride
CID 146300999
4,4-dimethyl-5-oxohexanoyl chloride
CID 19354061
5-chlorohexanoyl chloride
CID 71757929

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5,6-dioxooctanoyl chloride?
The IUPAC name of 7,7-dimethyl-5,6-dioxooctanoyl chloride (CID 150924654) is 7,7-dimethyl-5,6-dioxooctanoyl chloride.
What is the SMILES notation for 7,7-dimethyl-5,6-dioxooctanoyl chloride?
The canonical SMILES for 7,7-dimethyl-5,6-dioxooctanoyl chloride is CC(C)(C)C(=O)C(=O)CCCC(=O)Cl.
What is the InChIKey of 7,7-dimethyl-5,6-dioxooctanoyl chloride?
The InChIKey is LETOYHGGAVJJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO3/c1-10(2,3)9(14)7(12)5-4-6-8(11)13/h4-6H2,1-3H3.
What are the key properties of 7,7-dimethyl-5,6-dioxooctanoyl chloride?
7,7-dimethyl-5,6-dioxooctanoyl chloride has a molecular weight of 218.68 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5,6-dioxooctanoyl chloride is sourced from PubChem (CID 150924654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).