2-deuterio-2-(2-deuterio-2-adamantyl)adamantane

C20H30 — CID 10492446

IUPAC2-deuterio-2-(2-deuterio-2-adamantyl)adamantane
SMILES[2H]C1(C2([2H])C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30/c1-11-3-15-5-12(1)6-16(4-11)19(15)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2/i19D,20D
InChIKeyFFLXOPFAPWKULC-RGOSJCSNSA-N
MW272.47 g/mol
LogP5.13
Rot. Bonds1

About 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane

2-deuterio-2-(2-deuterio-2-adamantyl)adamantane (PubChem CID 10492446) has the molecular formula C20H30 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane.

Molecular Properties

Compound Name2-deuterio-2-(2-deuterio-2-adamantyl)adamantane
PubChem CID10492446
Molecular FormulaC20H30
Molecular Weight272.47 g/mol
Exact Mass272.25
IUPAC Name2-deuterio-2-(2-deuterio-2-adamantyl)adamantane
SMILES[2H]C1(C2([2H])C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H30/c1-11-3-15-5-12(1)6-16(4-11)19(15)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2/i19D,20D
InChIKeyFFLXOPFAPWKULC-RGOSJCSNSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

adamantane;cycloheptane
CID 173136693
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
(3R,11S)-tricyclo[5.5.1.03,11]tridecane
CID 54121059
2-iodoadamantane
CID 584609
adamantane;hydrobromide
CID 68587587
bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane
CID 162048501
adamantane;ruthenium(2+)
CID 175795757
adamantane;hydrate
CID 137498586
2-[2-(2-adamantyl)ethynyl]adamantane
CID 19857439
(1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane
CID 98539610
ethane;2-methyladamantane
CID 90765849
adamantane;azane;trihydrochloride
CID 172754322

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane?
The IUPAC name of 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane (CID 10492446) is 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane.
What is the SMILES notation for 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane?
The canonical SMILES for 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane is [2H]C1(C2([2H])C3CC4CC(C3)CC2C4)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane?
The InChIKey is FFLXOPFAPWKULC-RGOSJCSNSA-N. The full InChI is InChI=1S/C20H30/c1-11-3-15-5-12(1)6-16(4-11)19(15)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2/i19D,20D.
What are the key properties of 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane?
2-deuterio-2-(2-deuterio-2-adamantyl)adamantane has a molecular weight of 272.47 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-(2-deuterio-2-adamantyl)adamantane is sourced from PubChem (CID 10492446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).