2-(2-ethylhexyl)-2-methylpropanedioyl dichloride

C12H20Cl2O2 — CID 59838559

IUPAC2-(2-ethylhexyl)-2-methylpropanedioyl dichloride
SMILESCCCCC(CC)CC(C)(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C12H20Cl2O2/c1-4-6-7-9(5-2)8-12(3,10(13)15)11(14)16/h9H,4-8H2,1-3H3
InChIKeyRKYFNLHNQVURPB-UHFFFAOYSA-N
MW267.20 g/mol
LogP4.13
Rot. Bonds8

About 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride

2-(2-ethylhexyl)-2-methylpropanedioyl dichloride (PubChem CID 59838559) has the molecular formula C12H20Cl2O2 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride.

Molecular Properties

Compound Name2-(2-ethylhexyl)-2-methylpropanedioyl dichloride
PubChem CID59838559
Molecular FormulaC12H20Cl2O2
Molecular Weight267.20 g/mol
Exact Mass266.08
IUPAC Name2-(2-ethylhexyl)-2-methylpropanedioyl dichloride
SMILESCCCCC(CC)CC(C)(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C12H20Cl2O2/c1-4-6-7-9(5-2)8-12(3,10(13)15)11(14)16/h9H,4-8H2,1-3H3
InChIKeyRKYFNLHNQVURPB-UHFFFAOYSA-N
XLogP4.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-methyl-2-propan-2-yloctanoic acid
CID 83148291
1-chloro-4-ethyl-2,2-dimethyloctane
CID 66060389
2-chloro-2-(2,2-dichloroethenyl)-4-ethyloctanoic acid
CID 87385388
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
(6-ethyl-4-methyldecan-4-yl) acetate
CID 87430361
5-ethyl-2-hydroxy-2-methylnonan-3-one
CID 103446069
4,4-bis(2-ethylhexyl)heptanedioic acid
CID 172816539
5,5-bis(2-ethylhexyl)nonanedioic acid
CID 141156273
tris[[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl]oxy]stannyl 4-ethyl-2,2-bis(2-ethylhexyl)octanoate
CID 141476577
6-ethyl-2,2-dimethyldecan-4-one
CID 63890637
4-ethyl-2,2-dimethylundecane
CID 57148290
tert-butyl 3-ethylheptanoate
CID 545580

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride?
The IUPAC name of 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride (CID 59838559) is 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride.
What is the SMILES notation for 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride?
The canonical SMILES for 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride is CCCCC(CC)CC(C)(C(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride?
The InChIKey is RKYFNLHNQVURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2O2/c1-4-6-7-9(5-2)8-12(3,10(13)15)11(14)16/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride?
2-(2-ethylhexyl)-2-methylpropanedioyl dichloride has a molecular weight of 267.20 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-2-methylpropanedioyl dichloride is sourced from PubChem (CID 59838559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).