2,2-dimethyldodecanoyl chloride

C14H27ClO — CID 15656432

IUPAC2,2-dimethyldodecanoyl chloride
SMILESCCCCCCCCCCC(C)(C)C(=O)Cl
InChIInChI=1S/C14H27ClO/c1-4-5-6-7-8-9-10-11-12-14(2,3)13(15)16/h4-12H2,1-3H3
InChIKeyNADXKBWZHGIWEB-UHFFFAOYSA-N
MW246.82 g/mol
LogP5.31
Rot. Bonds10

About 2,2-dimethyldodecanoyl chloride

2,2-dimethyldodecanoyl chloride (PubChem CID 15656432) has the molecular formula C14H27ClO and a molecular weight of 246.82 g/mol. Its IUPAC name is 2,2-dimethyldodecanoyl chloride.

Molecular Properties

Compound Name2,2-dimethyldodecanoyl chloride
PubChem CID15656432
Molecular FormulaC14H27ClO
Molecular Weight246.82 g/mol
Exact Mass246.18
IUPAC Name2,2-dimethyldodecanoyl chloride
SMILESCCCCCCCCCCC(C)(C)C(=O)Cl
InChIInChI=1S/C14H27ClO/c1-4-5-6-7-8-9-10-11-12-14(2,3)13(15)16/h4-12H2,1-3H3
InChIKeyNADXKBWZHGIWEB-UHFFFAOYSA-N
XLogP5.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.82
LogP ≤ 55.31
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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Related Compounds

7-hydroxy-2,2-dimethylheptanoyl chloride
CID 138737346
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2,2-dimethyloctanethioate
CID 18983936
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
2,2-dibromooctadecanoyl chloride
CID 18469463
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
6-(6-chloro-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoyl chloride
CID 87462596
2-bromo-2-butyloctanoyl chloride
CID 178066892
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldodecanoyl chloride?
The IUPAC name of 2,2-dimethyldodecanoyl chloride (CID 15656432) is 2,2-dimethyldodecanoyl chloride.
What is the SMILES notation for 2,2-dimethyldodecanoyl chloride?
The canonical SMILES for 2,2-dimethyldodecanoyl chloride is CCCCCCCCCCC(C)(C)C(=O)Cl.
What is the InChIKey of 2,2-dimethyldodecanoyl chloride?
The InChIKey is NADXKBWZHGIWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO/c1-4-5-6-7-8-9-10-11-12-14(2,3)13(15)16/h4-12H2,1-3H3.
What are the key properties of 2,2-dimethyldodecanoyl chloride?
2,2-dimethyldodecanoyl chloride has a molecular weight of 246.82 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldodecanoyl chloride is sourced from PubChem (CID 15656432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).