carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene

C34H65NRh — CID 158712360

IUPACcarbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC(C)=C(C)C.CCC.CCC.CC[n+]1ccccc1.[CH3-].[Rh].c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C7H10N.C6H12.2C3H8.2C2H6.CH3.Rh/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-8-6-4-3-5-7-8;1-5(2)6(3)4;2*1-3-2;2*1-2;;/h1-2,5-6H,3-4,7-8H2;3-7H,2H2,1H3;1-4H3;2*3H2,1-2H3;2*1-2H3;1H3;/q;+1;;;;;;-1;
InChIKeyPZBQMZLCKFYPMZ-UHFFFAOYSA-N
MW590.81 g/mol
LogP11.25
Rot. Bonds1

About carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene

carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene (PubChem CID 158712360) has the molecular formula C34H65NRh and a molecular weight of 590.81 g/mol. Its IUPAC name is carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namecarbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene
PubChem CID158712360
Molecular FormulaC34H65NRh
Molecular Weight590.81 g/mol
Exact Mass590.42
IUPAC Namecarbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC(C)=C(C)C.CCC.CCC.CC[n+]1ccccc1.[CH3-].[Rh].c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C7H10N.C6H12.2C3H8.2C2H6.CH3.Rh/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-8-6-4-3-5-7-8;1-5(2)6(3)4;2*1-3-2;2*1-2;;/h1-2,5-6H,3-4,7-8H2;3-7H,2H2,1H3;1-4H3;2*3H2,1-2H3;2*1-2H3;1H3;/q;+1;;;;;;-1;
InChIKeyPZBQMZLCKFYPMZ-UHFFFAOYSA-N
XLogP11.25
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.81
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene (CID 158712360) is carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene is CC.CC.CC(C)=C(C)C.CCC.CCC.CC[n+]1ccccc1.[CH3-].[Rh].c1ccc2c(c1)CCCC2.
What is the InChIKey of carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene?
The InChIKey is PZBQMZLCKFYPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C7H10N.C6H12.2C3H8.2C2H6.CH3.Rh/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-8-6-4-3-5-7-8;1-5(2)6(3)4;2*1-3-2;2*1-2;;/h1-2,5-6H,3-4,7-8H2;3-7H,2H2,1H3;1-4H3;2*3H2,1-2H3;2*1-2H3;1H3;/q;+1;;;;;;-1;.
What are the key properties of carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene?
carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene has a molecular weight of 590.81 g/mol, XLogP of 11.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2,3-dimethylbut-2-ene;ethane;1-ethylpyridin-1-ium;propane;rhodium;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158712360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).