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

C18H30Y-2 — CID 59928092

IUPACbis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium
SMILES[CH-]1CCC2CCCCC12.[CH-]1CCC2CCCCC12.[Y]
InChIInChI=1S/2C9H15.Y/c2*1-2-5-9-7-3-6-8(9)4-1;/h2*6,8-9H,1-5,7H2;/q2*-1;
InChIKeyCYEFUJPJBRLTKP-UHFFFAOYSA-N
MW335.34 g/mol
LogP5.58
Rot. Bonds

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

bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium (PubChem CID 59928092) has the molecular formula C18H30Y-2 and a molecular weight of 335.34 g/mol. Its IUPAC name is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium.

Molecular Properties

Compound Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium
PubChem CID59928092
Molecular FormulaC18H30Y-2
Molecular Weight335.34 g/mol
Exact Mass335.14
IUPAC Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium
SMILES[CH-]1CCC2CCCCC12.[CH-]1CCC2CCCCC12.[Y]
InChIInChI=1S/2C9H15.Y/c2*1-2-5-9-7-3-6-8(9)4-1;/h2*6,8-9H,1-5,7H2;/q2*-1;
InChIKeyCYEFUJPJBRLTKP-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.34
LogP ≤ 55.58
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

(2S,3R)-2,3-dicyclohexyloxirane
CID 169013366
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclopentylcyclopentane;phosphane
CID 174792657
cyclohexylcycloheptane
CID 524589
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911
CID 175877016
CID 175877016
cyclononylcycloicosane
CID 123187062
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
azane;cyclohexylcyclohexane
CID 66583255
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261

Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium?
The IUPAC name of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium (CID 59928092) is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium.
What is the SMILES notation for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium?
The canonical SMILES for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium is [CH-]1CCC2CCCCC12.[CH-]1CCC2CCCCC12.[Y].
What is the InChIKey of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium?
The InChIKey is CYEFUJPJBRLTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H15.Y/c2*1-2-5-9-7-3-6-8(9)4-1;/h2*6,8-9H,1-5,7H2;/q2*-1;.
What are the key properties of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium?
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium has a molecular weight of 335.34 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-3-ide);yttrium is sourced from PubChem (CID 59928092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).