sodium 2-methylundecane

C12H25Na — CID 152655175

IUPACsodium 2-methylundecane
SMILESCCCCCCCCC[C-](C)C.[Na+]
InChIInChI=1S/C12H25.Na/c1-4-5-6-7-8-9-10-11-12(2)3;/h4-11H2,1-3H3;/q-1;+1
InChIKeyINNVRKCKKQCCSV-UHFFFAOYSA-N
MW192.32 g/mol
LogP1.75
Rot. Bonds8

About sodium 2-methylundecane

sodium 2-methylundecane (PubChem CID 152655175) has the molecular formula C12H25Na and a molecular weight of 192.32 g/mol. Its IUPAC name is sodium 2-methylundecane.

Molecular Properties

Compound Namesodium 2-methylundecane
PubChem CID152655175
Molecular FormulaC12H25Na
Molecular Weight192.32 g/mol
Exact Mass192.19
IUPAC Namesodium 2-methylundecane
SMILESCCCCCCCCC[C-](C)C.[Na+]
InChIInChI=1S/C12H25.Na/c1-4-5-6-7-8-9-10-11-12(2)3;/h4-11H2,1-3H3;/q-1;+1
InChIKeyINNVRKCKKQCCSV-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

zinc;2-methylhexane;bromide
CID 158835024
sodium hexadecane-1,1-diol
CID 87492358
sodium;hydride;tridecane
CID 172995973
sodium;octakis(decane);hydride
CID 173398930
triacontane
CID 12535
dictane
CID 19848341
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of sodium 2-methylundecane?
The IUPAC name of sodium 2-methylundecane (CID 152655175) is sodium 2-methylundecane.
What is the SMILES notation for sodium 2-methylundecane?
The canonical SMILES for sodium 2-methylundecane is CCCCCCCCC[C-](C)C.[Na+].
What is the InChIKey of sodium 2-methylundecane?
The InChIKey is INNVRKCKKQCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.Na/c1-4-5-6-7-8-9-10-11-12(2)3;/h4-11H2,1-3H3;/q-1;+1.
What are the key properties of sodium 2-methylundecane?
sodium 2-methylundecane has a molecular weight of 192.32 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylundecane is sourced from PubChem (CID 152655175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).