carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)

C26H58Sc2-6 — CID 162297700

IUPACcarbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Sc].[Sc]
InChIInChI=1S/2C10H20.6CH3.2Sc/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;/h2*6-10H,1-5H3;6*1H3;;/q;;6*-1;;
InChIKeyXASFJSYONKEFPM-UHFFFAOYSA-N
MW460.66 g/mol
LogP9.06
Rot. Bonds

About carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)

carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium) (PubChem CID 162297700) has the molecular formula C26H58Sc2-6 and a molecular weight of 460.66 g/mol. Its IUPAC name is carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium).

Molecular Properties

Compound Namecarbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
PubChem CID162297700
Molecular FormulaC26H58Sc2-6
Molecular Weight460.66 g/mol
Exact Mass460.37
IUPAC Namecarbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Sc].[Sc]
InChIInChI=1S/2C10H20.6CH3.2Sc/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;/h2*6-10H,1-5H3;6*1H3;;/q;;6*-1;;
InChIKeyXASFJSYONKEFPM-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 59.06
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

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CID 162298825
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
CID 23231302
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)
CID 23229957
(1R,2R,4R)-1,2,3,4-tetramethyl-5-[2-[(2S,3S,4S,5S)-2,3,4,5-tetramethylcyclopentyl]propan-2-yl]cyclopentane
CID 58219597
bis(dichlororhodium);bis(1,2,3,4,5-pentamethylcyclopentane)
CID 74890113
(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
CID 91229213
CID 162297187
CID 162297187
2,3,4,5,6-pentamethylcyclohexan-1-ol
CID 18730220
2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
CID 123787796
tris(acetonitrile);bis(hexafluoroantimony(1-));1,2,3,4,5-pentamethylcyclopentane;rhodium(2+)
CID 159746631

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)?
The IUPAC name of carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium) (CID 162297700) is carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium).
What is the SMILES notation for carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)?
The canonical SMILES for carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium) is CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Sc].[Sc].
What is the InChIKey of carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)?
The InChIKey is XASFJSYONKEFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20.6CH3.2Sc/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;/h2*6-10H,1-5H3;6*1H3;;/q;;6*-1;;.
What are the key properties of carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)?
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium) has a molecular weight of 460.66 g/mol, XLogP of 9.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium) is sourced from PubChem (CID 162297700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).