sodium;1-chlorododecane;chloride

C12H25Cl2Na — CID 175001889

IUPACsodium;1-chlorododecane;chloride
SMILESCCCCCCCCCCCCCl.[Cl-].[Na+]
InChIInChI=1S/C12H25Cl.ClH.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2-12H2,1H3;1H;/q;;+1/p-1
InChIKeyGRASMUAPFDFRDS-UHFFFAOYSA-M
MW263.23 g/mol
LogP-0.85
Rot. Bonds10

About sodium;1-chlorododecane;chloride

sodium;1-chlorododecane;chloride (PubChem CID 175001889) has the molecular formula C12H25Cl2Na and a molecular weight of 263.23 g/mol. Its IUPAC name is sodium;1-chlorododecane;chloride.

Molecular Properties

Compound Namesodium;1-chlorododecane;chloride
PubChem CID175001889
Molecular FormulaC12H25Cl2Na
Molecular Weight263.23 g/mol
Exact Mass262.12
IUPAC Namesodium;1-chlorododecane;chloride
SMILESCCCCCCCCCCCCCl.[Cl-].[Na+]
InChIInChI=1S/C12H25Cl.ClH.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2-12H2,1H3;1H;/q;;+1/p-1
InChIKeyGRASMUAPFDFRDS-UHFFFAOYSA-M
XLogP-0.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 87162953
CID 87162953
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azane;1-chlorohexadecane;hydrate
CID 174801150
1-chloropentane;ethane
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Frequently Asked Questions

What is the IUPAC name of sodium;1-chlorododecane;chloride?
The IUPAC name of sodium;1-chlorododecane;chloride (CID 175001889) is sodium;1-chlorododecane;chloride.
What is the SMILES notation for sodium;1-chlorododecane;chloride?
The canonical SMILES for sodium;1-chlorododecane;chloride is CCCCCCCCCCCCCl.[Cl-].[Na+].
What is the InChIKey of sodium;1-chlorododecane;chloride?
The InChIKey is GRASMUAPFDFRDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H25Cl.ClH.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2-12H2,1H3;1H;/q;;+1/p-1.
What are the key properties of sodium;1-chlorododecane;chloride?
sodium;1-chlorododecane;chloride has a molecular weight of 263.23 g/mol, XLogP of -0.85, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-chlorododecane;chloride is sourced from PubChem (CID 175001889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).