ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium

C28H60Y — CID 157116099

IUPACethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
SMILESC.C.CC.CC.CC1CC2CC(C1C)C2(C)C.CC1CC2CC(C1C)C2(C)C.[Y]
InChIInChI=1S/2C11H20.2C2H6.2CH4.Y/c2*1-7-5-9-6-10(8(7)2)11(9,3)4;2*1-2;;;/h2*7-10H,5-6H2,1-4H3;2*1-2H3;2*1H4;
InChIKeyAHKQJWDPTKGFOZ-UHFFFAOYSA-N
MW485.69 g/mol
LogP9.97
Rot. Bonds

About ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium

ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium (PubChem CID 157116099) has the molecular formula C28H60Y and a molecular weight of 485.69 g/mol. Its IUPAC name is ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium.

Molecular Properties

Compound Nameethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
PubChem CID157116099
Molecular FormulaC28H60Y
Molecular Weight485.69 g/mol
Exact Mass485.38
IUPAC Nameethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
SMILESC.C.CC.CC.CC1CC2CC(C1C)C2(C)C.CC1CC2CC(C1C)C2(C)C.[Y]
InChIInChI=1S/2C11H20.2C2H6.2CH4.Y/c2*1-7-5-9-6-10(8(7)2)11(9,3)4;2*1-2;;;/h2*7-10H,5-6H2,1-4H3;2*1-2H3;2*1H4;
InChIKeyAHKQJWDPTKGFOZ-UHFFFAOYSA-N
XLogP9.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.69
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium?
The IUPAC name of ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium (CID 157116099) is ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium.
What is the SMILES notation for ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium?
The canonical SMILES for ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium is C.C.CC.CC.CC1CC2CC(C1C)C2(C)C.CC1CC2CC(C1C)C2(C)C.[Y].
What is the InChIKey of ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium?
The InChIKey is AHKQJWDPTKGFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H20.2C2H6.2CH4.Y/c2*1-7-5-9-6-10(8(7)2)11(9,3)4;2*1-2;;;/h2*7-10H,5-6H2,1-4H3;2*1-2H3;2*1H4;.
What are the key properties of ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium?
ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium has a molecular weight of 485.69 g/mol, XLogP of 9.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium is sourced from PubChem (CID 157116099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).