sodium;carbanide;1-chlorododecane

C13H28ClNa — CID 175514406

IUPACsodium;carbanide;1-chlorododecane
SMILESCCCCCCCCCCCCCl.[CH3-].[Na+]
InChIInChI=1S/C12H25Cl.CH3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2-12H2,1H3;1H3;/q;-1;+1
InChIKeyIBCFWLXOSINAAY-UHFFFAOYSA-N
MW242.81 g/mol
LogP2.60
Rot. Bonds10

About sodium;carbanide;1-chlorododecane

sodium;carbanide;1-chlorododecane (PubChem CID 175514406) has the molecular formula C13H28ClNa and a molecular weight of 242.81 g/mol. Its IUPAC name is sodium;carbanide;1-chlorododecane.

Molecular Properties

Compound Namesodium;carbanide;1-chlorododecane
PubChem CID175514406
Molecular FormulaC13H28ClNa
Molecular Weight242.81 g/mol
Exact Mass242.18
IUPAC Namesodium;carbanide;1-chlorododecane
SMILESCCCCCCCCCCCCCl.[CH3-].[Na+]
InChIInChI=1S/C12H25Cl.CH3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2-12H2,1H3;1H3;/q;-1;+1
InChIKeyIBCFWLXOSINAAY-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.81
LogP ≤ 52.60
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'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

sodium;1-chlorododecane;chloride
CID 175001889
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
CID 87162953
CID 87162953
azane;1-chlorohexadecane;hydrate
CID 174801150
1-chloroicosane;phosphane;dihydrochloride
CID 173449794
1-chloropentane;ethane
CID 175284520
1-chlorohexane;N,N-dimethylmethanamine
CID 174391589
1-chloroicosane;dichlorophosphane
CID 173449796

Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;1-chlorododecane?
The IUPAC name of sodium;carbanide;1-chlorododecane (CID 175514406) is sodium;carbanide;1-chlorododecane.
What is the SMILES notation for sodium;carbanide;1-chlorododecane?
The canonical SMILES for sodium;carbanide;1-chlorododecane is CCCCCCCCCCCCCl.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;1-chlorododecane?
The InChIKey is IBCFWLXOSINAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Cl.CH3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h2-12H2,1H3;1H3;/q;-1;+1.
What are the key properties of sodium;carbanide;1-chlorododecane?
sodium;carbanide;1-chlorododecane has a molecular weight of 242.81 g/mol, XLogP of 2.60, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;1-chlorododecane is sourced from PubChem (CID 175514406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).