2-nonan-2-ylpropanedioyl dichloride

C12H20Cl2O2 — CID 22468236

IUPAC2-nonan-2-ylpropanedioyl dichloride
SMILESCCCCCCCC(C)C(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C12H20Cl2O2/c1-3-4-5-6-7-8-9(2)10(11(13)15)12(14)16/h9-10H,3-8H2,1-2H3
InChIKeyGIAQGPNFIBEFGS-UHFFFAOYSA-N
MW267.20 g/mol
LogP4.13
Rot. Bonds9

About 2-nonan-2-ylpropanedioyl dichloride

2-nonan-2-ylpropanedioyl dichloride (PubChem CID 22468236) has the molecular formula C12H20Cl2O2 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-nonan-2-ylpropanedioyl dichloride.

Molecular Properties

Compound Name2-nonan-2-ylpropanedioyl dichloride
PubChem CID22468236
Molecular FormulaC12H20Cl2O2
Molecular Weight267.20 g/mol
Exact Mass266.08
IUPAC Name2-nonan-2-ylpropanedioyl dichloride
SMILESCCCCCCCC(C)C(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C12H20Cl2O2/c1-3-4-5-6-7-8-9(2)10(11(13)15)12(14)16/h9-10H,3-8H2,1-2H3
InChIKeyGIAQGPNFIBEFGS-UHFFFAOYSA-N
XLogP4.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-nonadecan-2-ylpropanedioic acid
CID 22179077
2-methyldecanoyl chloride
CID 19022279
(2S)-2-methyloctadecanoyl chloride
CID 88703138
2-hexylundecanoyl chloride
CID 143261788
potassium;2-heptan-2-ylpropanedioic acid;hydride
CID 175224812
2-butyloctanoyl chloride
CID 22341435
2-chlorooctadecanoyl chloride
CID 20512617
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612

Frequently Asked Questions

What is the IUPAC name of 2-nonan-2-ylpropanedioyl dichloride?
The IUPAC name of 2-nonan-2-ylpropanedioyl dichloride (CID 22468236) is 2-nonan-2-ylpropanedioyl dichloride.
What is the SMILES notation for 2-nonan-2-ylpropanedioyl dichloride?
The canonical SMILES for 2-nonan-2-ylpropanedioyl dichloride is CCCCCCCC(C)C(C(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-nonan-2-ylpropanedioyl dichloride?
The InChIKey is GIAQGPNFIBEFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl2O2/c1-3-4-5-6-7-8-9(2)10(11(13)15)12(14)16/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-nonan-2-ylpropanedioyl dichloride?
2-nonan-2-ylpropanedioyl dichloride has a molecular weight of 267.20 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-2-ylpropanedioyl dichloride is sourced from PubChem (CID 22468236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).