2-(methoxymethyl)-3,3-dimethylheptanoyl chloride

C11H21ClO2 — CID 87163174

IUPAC2-(methoxymethyl)-3,3-dimethylheptanoyl chloride
SMILESCCCCC(C)(C)C(COC)C(=O)Cl
InChIInChI=1S/C11H21ClO2/c1-5-6-7-11(2,3)9(8-14-4)10(12)13/h9H,5-8H2,1-4H3
InChIKeyZGDAYQUXIPBCGQ-UHFFFAOYSA-N
MW220.74 g/mol
LogP3.23
Rot. Bonds7

About 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride

2-(methoxymethyl)-3,3-dimethylheptanoyl chloride (PubChem CID 87163174) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride.

Molecular Properties

Compound Name2-(methoxymethyl)-3,3-dimethylheptanoyl chloride
PubChem CID87163174
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name2-(methoxymethyl)-3,3-dimethylheptanoyl chloride
SMILESCCCCC(C)(C)C(COC)C(=O)Cl
InChIInChI=1S/C11H21ClO2/c1-5-6-7-11(2,3)9(8-14-4)10(12)13/h9H,5-8H2,1-4H3
InChIKeyZGDAYQUXIPBCGQ-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trimethylheptanoyl chloride
CID 134874376
2-tert-butyl-2-(methoxymethyl)hexanoyl chloride
CID 87162799
1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane
CID 175461181
2-ethyl-3,3-dimethyltetradecanoic acid
CID 175257487
ethane;1-methoxy-3,3-dimethylheptane
CID 142973962
dimethyl 2-(2-methyloctan-2-yl)propanedioate
CID 137470505
3,3-dimethyl-2-propylpentanedioyl dichloride
CID 141151343
butan-1-ol;1,2-dimethoxyethane
CID 86595378
2-hydroxyethyl 2,2-dimethylhexanoate
CID 59773865
octadecyl 3-chloro-2-methyl-3-oxopropanoate
CID 88619746
2-(2,2-dimethylhexyl)-N-ethyl-3,3-dimethyloctanamide
CID 89406316
2-butyl-2-chlorohexanoic acid
CID 178066863

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride?
The IUPAC name of 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride (CID 87163174) is 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride.
What is the SMILES notation for 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride?
The canonical SMILES for 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride is CCCCC(C)(C)C(COC)C(=O)Cl.
What is the InChIKey of 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride?
The InChIKey is ZGDAYQUXIPBCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-5-6-7-11(2,3)9(8-14-4)10(12)13/h9H,5-8H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride?
2-(methoxymethyl)-3,3-dimethylheptanoyl chloride has a molecular weight of 220.74 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3,3-dimethylheptanoyl chloride is sourced from PubChem (CID 87163174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).