2,2-di(ethyl)adamantane;yttrium

C14H22Y-2 — CID 162698514

IUPAC2,2-di(ethyl)adamantane;yttrium
SMILES[CH2-]CC1(C[CH2-])C2CC3CC(C2)CC1C3.[Y]
InChIInChI=1S/C14H22.Y/c1-3-14(4-2)12-6-10-5-11(8-12)9-13(14)7-10;/h10-13H,1-9H2;/q-2;
InChIKeyCDOPWSIKUCRDKN-UHFFFAOYSA-N
MW279.24 g/mol
LogP3.87
Rot. Bonds2

About 2,2-di(ethyl)adamantane;yttrium

2,2-di(ethyl)adamantane;yttrium (PubChem CID 162698514) has the molecular formula C14H22Y-2 and a molecular weight of 279.24 g/mol. Its IUPAC name is 2,2-di(ethyl)adamantane;yttrium.

Molecular Properties

Compound Name2,2-di(ethyl)adamantane;yttrium
PubChem CID162698514
Molecular FormulaC14H22Y-2
Molecular Weight279.24 g/mol
Exact Mass279.08
IUPAC Name2,2-di(ethyl)adamantane;yttrium
SMILES[CH2-]CC1(C[CH2-])C2CC3CC(C2)CC1C3.[Y]
InChIInChI=1S/C14H22.Y/c1-3-14(4-2)12-6-10-5-11(8-12)9-13(14)7-10;/h10-13H,1-9H2;/q-2;
InChIKeyCDOPWSIKUCRDKN-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 53.87
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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Frequently Asked Questions

What is the IUPAC name of 2,2-di(ethyl)adamantane;yttrium?
The IUPAC name of 2,2-di(ethyl)adamantane;yttrium (CID 162698514) is 2,2-di(ethyl)adamantane;yttrium.
What is the SMILES notation for 2,2-di(ethyl)adamantane;yttrium?
The canonical SMILES for 2,2-di(ethyl)adamantane;yttrium is [CH2-]CC1(C[CH2-])C2CC3CC(C2)CC1C3.[Y].
What is the InChIKey of 2,2-di(ethyl)adamantane;yttrium?
The InChIKey is CDOPWSIKUCRDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.Y/c1-3-14(4-2)12-6-10-5-11(8-12)9-13(14)7-10;/h10-13H,1-9H2;/q-2;.
What are the key properties of 2,2-di(ethyl)adamantane;yttrium?
2,2-di(ethyl)adamantane;yttrium has a molecular weight of 279.24 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(ethyl)adamantane;yttrium is sourced from PubChem (CID 162698514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).