sodium;cyclopenta-1,3-diene;octadecane

C23H43Na — CID 174898924

IUPACsodium;cyclopenta-1,3-diene;octadecane
SMILESC1=CCC=C1.[CH2-]CCCCCCCCCCCCCCCCC.[Na+]
InChIInChI=1S/C18H37.C5H6.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2-4-5-3-1;/h1,3-18H2,2H3;1-4H,5H2;/q-1;;+1
InChIKeyDPLSVOSHVAASQW-UHFFFAOYSA-N
MW342.59 g/mol
LogP5.59
Rot. Bonds15

About sodium;cyclopenta-1,3-diene;octadecane

sodium;cyclopenta-1,3-diene;octadecane (PubChem CID 174898924) has the molecular formula C23H43Na and a molecular weight of 342.59 g/mol. Its IUPAC name is sodium;cyclopenta-1,3-diene;octadecane.

Molecular Properties

Compound Namesodium;cyclopenta-1,3-diene;octadecane
PubChem CID174898924
Molecular FormulaC23H43Na
Molecular Weight342.59 g/mol
Exact Mass342.33
IUPAC Namesodium;cyclopenta-1,3-diene;octadecane
SMILESC1=CCC=C1.[CH2-]CCCCCCCCCCCCCCCCC.[Na+]
InChIInChI=1S/C18H37.C5H6.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2-4-5-3-1;/h1,3-18H2,2H3;1-4H,5H2;/q-1;;+1
InChIKeyDPLSVOSHVAASQW-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.59
LogP ≤ 55.59
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'}

Analyze sodium;cyclopenta-1,3-diene;octadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium tritriacontane
CID 150964196
nonane;zirconium(4+);trihydroxide
CID 172793707
hafnium(4+);nonane;trihydroxide
CID 172731149
sodium;octane;hydrate
CID 172770600
heptadecane
CID 156905849
dodecane;zirconium
CID 148549415
zinc heptane
CID 4204916
cerium;dodecane
CID 154114371
lithium tridecane
CID 11321439
tetrakis(heptane);zirconium(4+)
CID 154501032
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167

Frequently Asked Questions

What is the IUPAC name of sodium;cyclopenta-1,3-diene;octadecane?
The IUPAC name of sodium;cyclopenta-1,3-diene;octadecane (CID 174898924) is sodium;cyclopenta-1,3-diene;octadecane.
What is the SMILES notation for sodium;cyclopenta-1,3-diene;octadecane?
The canonical SMILES for sodium;cyclopenta-1,3-diene;octadecane is C1=CCC=C1.[CH2-]CCCCCCCCCCCCCCCCC.[Na+].
What is the InChIKey of sodium;cyclopenta-1,3-diene;octadecane?
The InChIKey is DPLSVOSHVAASQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37.C5H6.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2-4-5-3-1;/h1,3-18H2,2H3;1-4H,5H2;/q-1;;+1.
What are the key properties of sodium;cyclopenta-1,3-diene;octadecane?
sodium;cyclopenta-1,3-diene;octadecane has a molecular weight of 342.59 g/mol, XLogP of 5.59, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyclopenta-1,3-diene;octadecane is sourced from PubChem (CID 174898924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).