sodium tritriacontane

C33H67Na — CID 150964196

IUPACsodium tritriacontane
SMILES[CH2-]CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.[Na+]
InChIInChI=1S/C33H67.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h1,3-33H2,2H3;/q-1;+1
InChIKeyRDBWFCZRTLKCHF-UHFFFAOYSA-N
MW486.89 g/mol
LogP9.94
Rot. Bonds30

About sodium tritriacontane

sodium tritriacontane (PubChem CID 150964196) has the molecular formula C33H67Na and a molecular weight of 486.89 g/mol. Its IUPAC name is sodium tritriacontane.

Molecular Properties

Compound Namesodium tritriacontane
PubChem CID150964196
Molecular FormulaC33H67Na
Molecular Weight486.89 g/mol
Exact Mass486.51
IUPAC Namesodium tritriacontane
SMILES[CH2-]CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.[Na+]
InChIInChI=1S/C33H67.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h1,3-33H2,2H3;/q-1;+1
InChIKeyRDBWFCZRTLKCHF-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.89
LogP ≤ 59.94
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

sodium;octane;hydrate
CID 172770600
heptadecane
CID 156905849
cerium;dodecane
CID 154114371
dodecane;zirconium
CID 148549415
zinc heptane
CID 4204916
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
tetrakis(heptane);zirconium(4+)
CID 154501032
lithium tridecane
CID 11321439
manganese;tetradecane
CID 173260191
lithium heptadecane
CID 12950399
tetrakis(dodecane);zirconium(4+)
CID 173426195

Frequently Asked Questions

What is the IUPAC name of sodium tritriacontane?
The IUPAC name of sodium tritriacontane (CID 150964196) is sodium tritriacontane.
What is the SMILES notation for sodium tritriacontane?
The canonical SMILES for sodium tritriacontane is [CH2-]CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.[Na+].
What is the InChIKey of sodium tritriacontane?
The InChIKey is RDBWFCZRTLKCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h1,3-33H2,2H3;/q-1;+1.
What are the key properties of sodium tritriacontane?
sodium tritriacontane has a molecular weight of 486.89 g/mol, XLogP of 9.94, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tritriacontane is sourced from PubChem (CID 150964196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).