carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium

C16H30Y-2 — CID 59970207

IUPACcarbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium
SMILESCC1[CH-]C2C(C)C(C)C(C)C(C)C2C1C.[CH3-].[Y]
InChIInChI=1S/C15H27.CH3.Y/c1-8-7-14-12(5)10(3)11(4)13(6)15(14)9(8)2;;/h7-15H,1-6H3;1H3;/q2*-1;
InChIKeyFVOSTIQZFWHXKS-UHFFFAOYSA-N
MW311.32 g/mol
LogP4.71
Rot. Bonds

About carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium

carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium (PubChem CID 59970207) has the molecular formula C16H30Y-2 and a molecular weight of 311.32 g/mol. Its IUPAC name is carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium.

Molecular Properties

Compound Namecarbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium
PubChem CID59970207
Molecular FormulaC16H30Y-2
Molecular Weight311.32 g/mol
Exact Mass311.14
IUPAC Namecarbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium
SMILESCC1[CH-]C2C(C)C(C)C(C)C(C)C2C1C.[CH3-].[Y]
InChIInChI=1S/C15H27.CH3.Y/c1-8-7-14-12(5)10(3)11(4)13(6)15(14)9(8)2;;/h7-15H,1-6H3;1H3;/q2*-1;
InChIKeyFVOSTIQZFWHXKS-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 54.71
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

bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium
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CID 163461785
(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
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
CID 58241652
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
CID 23231302
(2R,3S,5R,6R)-2,3,5,6-tetramethylbicyclo[2.2.0]hexane
CID 123730639
carbanide;iridium tetrahydride;1,2,3,4,5-pentamethylcyclopentane
CID 162298825
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
CID 162297700
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
CID 123787796
carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)
CID 23229957

Frequently Asked Questions

What is the IUPAC name of carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium?
The IUPAC name of carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium (CID 59970207) is carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium.
What is the SMILES notation for carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium?
The canonical SMILES for carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium is CC1[CH-]C2C(C)C(C)C(C)C(C)C2C1C.[CH3-].[Y].
What is the InChIKey of carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium?
The InChIKey is FVOSTIQZFWHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27.CH3.Y/c1-8-7-14-12(5)10(3)11(4)13(6)15(14)9(8)2;;/h7-15H,1-6H3;1H3;/q2*-1;.
What are the key properties of carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium?
carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium has a molecular weight of 311.32 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,2,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide;yttrium is sourced from PubChem (CID 59970207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).