sodium;hydride;pentadecylbenzene

C21H37Na — CID 173461904

IUPACsodium;hydride;pentadecylbenzene
SMILESCCCCCCCCCCCCCCCc1ccccc1.[H-].[Na+]
InChIInChI=1S/C21H36.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21;;/h14,16-17,19-20H,2-13,15,18H2,1H3;;/q;+1;-1
InChIKeyDFHGLLSIJWGIIQ-UHFFFAOYSA-N
MW312.52 g/mol
LogP4.44
Rot. Bonds14

About sodium;hydride;pentadecylbenzene

sodium;hydride;pentadecylbenzene (PubChem CID 173461904) has the molecular formula C21H37Na and a molecular weight of 312.52 g/mol. Its IUPAC name is sodium;hydride;pentadecylbenzene.

Molecular Properties

Compound Namesodium;hydride;pentadecylbenzene
PubChem CID173461904
Molecular FormulaC21H37Na
Molecular Weight312.52 g/mol
Exact Mass312.28
IUPAC Namesodium;hydride;pentadecylbenzene
SMILESCCCCCCCCCCCCCCCc1ccccc1.[H-].[Na+]
InChIInChI=1S/C21H36.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21;;/h14,16-17,19-20H,2-13,15,18H2,1H3;;/q;+1;-1
InChIKeyDFHGLLSIJWGIIQ-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;octadecylbenzene
CID 173344678
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
acetylene;dodecylbenzene;ethane
CID 91021097
sodium;hydride;octadecylbenzene;sulfuric acid
CID 173411990

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;pentadecylbenzene?
The IUPAC name of sodium;hydride;pentadecylbenzene (CID 173461904) is sodium;hydride;pentadecylbenzene.
What is the SMILES notation for sodium;hydride;pentadecylbenzene?
The canonical SMILES for sodium;hydride;pentadecylbenzene is CCCCCCCCCCCCCCCc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;pentadecylbenzene?
The InChIKey is DFHGLLSIJWGIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21;;/h14,16-17,19-20H,2-13,15,18H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;pentadecylbenzene?
sodium;hydride;pentadecylbenzene has a molecular weight of 312.52 g/mol, XLogP of 4.44, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;pentadecylbenzene is sourced from PubChem (CID 173461904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).