bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium

C26H46Y-2 — CID 59966240

IUPACbis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium
SMILESCC1[CH-]C2C(C)CCC(C)C2C1C.CC1[CH-]C2C(C)CCC(C)C2C1C.[Y]
InChIInChI=1S/2C13H23.Y/c2*1-8-5-6-9(2)13-11(4)10(3)7-12(8)13;/h2*7-13H,5-6H2,1-4H3;/q2*-1;
InChIKeyUUKAXTGLMHQKHG-UHFFFAOYSA-N
MW447.56 g/mol
LogP7.55
Rot. Bonds

About bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium

bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium (PubChem CID 59966240) has the molecular formula C26H46Y-2 and a molecular weight of 447.56 g/mol. Its IUPAC name is bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium.

Molecular Properties

Compound Namebis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium
PubChem CID59966240
Molecular FormulaC26H46Y-2
Molecular Weight447.56 g/mol
Exact Mass447.27
IUPAC Namebis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium
SMILESCC1[CH-]C2C(C)CCC(C)C2C1C.CC1[CH-]C2C(C)CCC(C)C2C1C.[Y]
InChIInChI=1S/2C13H23.Y/c2*1-8-5-6-9(2)13-11(4)10(3)7-12(8)13;/h2*7-13H,5-6H2,1-4H3;/q2*-1;
InChIKeyUUKAXTGLMHQKHG-UHFFFAOYSA-N
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium with MolForge

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Related Compounds

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CID 6427077
2-cyclopropyl-1,3-dimethylcyclopentane
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(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
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(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane
CID 59755188
CID 169427116
CID 169427116
[(1S)-2,3-dimethylcyclopentyl]methanamine
CID 129279891
2,5,7,9-tetramethylbicyclo[4.2.1]nonane
CID 123564718
trans-(1R,2S)-1-(chloromethyl)-2-methylcyclobutane
CID 55302290
4,7-dimethyltricyclo[6.2.0.03,10]decane-2,9-diamine
CID 135258769

Frequently Asked Questions

What is the IUPAC name of bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium?
The IUPAC name of bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium (CID 59966240) is bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium.
What is the SMILES notation for bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium?
The canonical SMILES for bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium is CC1[CH-]C2C(C)CCC(C)C2C1C.CC1[CH-]C2C(C)CCC(C)C2C1C.[Y].
What is the InChIKey of bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium?
The InChIKey is UUKAXTGLMHQKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H23.Y/c2*1-8-5-6-9(2)13-11(4)10(3)7-12(8)13;/h2*7-13H,5-6H2,1-4H3;/q2*-1;.
What are the key properties of bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium?
bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium has a molecular weight of 447.56 g/mol, XLogP of 7.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,4,7-tetramethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium is sourced from PubChem (CID 59966240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).