carbanide;ethane;lanthanum;propane;propylbenzene

C25H44La-2 — CID 161064679

IUPACcarbanide;ethane;lanthanum;propane;propylbenzene
SMILESCC.CCC.CCCc1ccccc1.CCCc1ccccc1.[CH3-].[CH3-].[La]
InChIInChI=1S/2C9H12.C3H8.C2H6.2CH3.La/c2*1-2-6-9-7-4-3-5-8-9;1-3-2;1-2;;;/h2*3-5,7-8H,2,6H2,1H3;3H2,1-2H3;1-2H3;2*1H3;/q;;;;2*-1;
InChIKeyIBWGLOTZXSQTCS-UHFFFAOYSA-N
MW483.53 g/mol
LogP8.62
Rot. Bonds4

About carbanide;ethane;lanthanum;propane;propylbenzene

carbanide;ethane;lanthanum;propane;propylbenzene (PubChem CID 161064679) has the molecular formula C25H44La-2 and a molecular weight of 483.53 g/mol. Its IUPAC name is carbanide;ethane;lanthanum;propane;propylbenzene.

Molecular Properties

Compound Namecarbanide;ethane;lanthanum;propane;propylbenzene
PubChem CID161064679
Molecular FormulaC25H44La-2
Molecular Weight483.53 g/mol
Exact Mass483.25
IUPAC Namecarbanide;ethane;lanthanum;propane;propylbenzene
SMILESCC.CCC.CCCc1ccccc1.CCCc1ccccc1.[CH3-].[CH3-].[La]
InChIInChI=1S/2C9H12.C3H8.C2H6.2CH3.La/c2*1-2-6-9-7-4-3-5-8-9;1-3-2;1-2;;;/h2*3-5,7-8H,2,6H2,1H3;3H2,1-2H3;1-2H3;2*1H3;/q;;;;2*-1;
InChIKeyIBWGLOTZXSQTCS-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
ethane;ethylbenzene;propylbenzene
CID 153343160
ethane;ethylbenzene;propylbenzene
CID 144852867
1-bromopropane;propylbenzene
CID 158382353
potassium;hydride;propylbenzene
CID 174749122
lithium;ethyne;propylbenzene
CID 174833014
butylbenzene;propylbenzene
CID 142022125
benzene;propylbenzene;toluene
CID 142060228
butane;methane;propane;propylbenzene;toluene
CID 160913723
phenol;propylbenzene
CID 18469730
deuteriomethane;fluoromethane;propylbenzene
CID 91154303

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;lanthanum;propane;propylbenzene?
The IUPAC name of carbanide;ethane;lanthanum;propane;propylbenzene (CID 161064679) is carbanide;ethane;lanthanum;propane;propylbenzene.
What is the SMILES notation for carbanide;ethane;lanthanum;propane;propylbenzene?
The canonical SMILES for carbanide;ethane;lanthanum;propane;propylbenzene is CC.CCC.CCCc1ccccc1.CCCc1ccccc1.[CH3-].[CH3-].[La].
What is the InChIKey of carbanide;ethane;lanthanum;propane;propylbenzene?
The InChIKey is IBWGLOTZXSQTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.C3H8.C2H6.2CH3.La/c2*1-2-6-9-7-4-3-5-8-9;1-3-2;1-2;;;/h2*3-5,7-8H,2,6H2,1H3;3H2,1-2H3;1-2H3;2*1H3;/q;;;;2*-1;.
What are the key properties of carbanide;ethane;lanthanum;propane;propylbenzene?
carbanide;ethane;lanthanum;propane;propylbenzene has a molecular weight of 483.53 g/mol, XLogP of 8.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;lanthanum;propane;propylbenzene is sourced from PubChem (CID 161064679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).