sodium;bis(dodecanoyl chloride);hydride

C24H47Cl2NaO2 — CID 175516799

IUPACsodium;bis(dodecanoyl chloride);hydride
SMILESCCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCC(=O)Cl.[H-].[Na+]
InChIInChI=1S/2C12H23ClO.Na.H/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2*2-11H2,1H3;;/q;;+1;-1
InChIKeyGECCBNYRTGUUAU-UHFFFAOYSA-N
MW461.53 g/mol
LogP6.46
Rot. Bonds20

About sodium;bis(dodecanoyl chloride);hydride

sodium;bis(dodecanoyl chloride);hydride (PubChem CID 175516799) has the molecular formula C24H47Cl2NaO2 and a molecular weight of 461.53 g/mol. Its IUPAC name is sodium;bis(dodecanoyl chloride);hydride.

Molecular Properties

Compound Namesodium;bis(dodecanoyl chloride);hydride
PubChem CID175516799
Molecular FormulaC24H47Cl2NaO2
Molecular Weight461.53 g/mol
Exact Mass460.29
IUPAC Namesodium;bis(dodecanoyl chloride);hydride
SMILESCCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCC(=O)Cl.[H-].[Na+]
InChIInChI=1S/2C12H23ClO.Na.H/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2*2-11H2,1H3;;/q;;+1;-1
InChIKeyGECCBNYRTGUUAU-UHFFFAOYSA-N
XLogP6.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 56.46
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'}

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Related Compounds

nonadecanoyl chloride
CID 4250939
cyclohexane;octanoyl chloride
CID 175478267
dimethylphosphorylmethane;nonanoyl chloride
CID 91004797
benzene;hexanoyl chloride
CID 174698331
(Z)-octadec-6-enoyl chloride
CID 87496565
(E)-hexadec-9-enoyl chloride
CID 6272807
hexadec-9-enoyl chloride
CID 5109845
(Z)-heptadec-10-enoyl chloride
CID 14430044
pentanoyl chloride;hydrofluoride
CID 174423538
(Z)-octadec-9-enoyl chloride;dihydrochloride
CID 141041572
octadeca-8,10-diynoyl chloride
CID 87770394
(11Z,14Z)-icosa-11,14-dienoyl chloride
CID 124636194

Frequently Asked Questions

What is the IUPAC name of sodium;bis(dodecanoyl chloride);hydride?
The IUPAC name of sodium;bis(dodecanoyl chloride);hydride (CID 175516799) is sodium;bis(dodecanoyl chloride);hydride.
What is the SMILES notation for sodium;bis(dodecanoyl chloride);hydride?
The canonical SMILES for sodium;bis(dodecanoyl chloride);hydride is CCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCC(=O)Cl.[H-].[Na+].
What is the InChIKey of sodium;bis(dodecanoyl chloride);hydride?
The InChIKey is GECCBNYRTGUUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23ClO.Na.H/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2*2-11H2,1H3;;/q;;+1;-1.
What are the key properties of sodium;bis(dodecanoyl chloride);hydride?
sodium;bis(dodecanoyl chloride);hydride has a molecular weight of 461.53 g/mol, XLogP of 6.46, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(dodecanoyl chloride);hydride is sourced from PubChem (CID 175516799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).