2-(2-deuteriopropan-2-yl)adamantane

C13H22 — CID 153320243

IUPAC2-(2-deuteriopropan-2-yl)adamantane
SMILES[2H]C(C)(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3/i8D
InChIKeyGNFZEYQQRJBGMB-BNEYPBHNSA-N
MW179.33 g/mol
LogP3.71
Rot. Bonds1

About 2-(2-deuteriopropan-2-yl)adamantane

2-(2-deuteriopropan-2-yl)adamantane (PubChem CID 153320243) has the molecular formula C13H22 and a molecular weight of 179.33 g/mol. Its IUPAC name is 2-(2-deuteriopropan-2-yl)adamantane.

Molecular Properties

Compound Name2-(2-deuteriopropan-2-yl)adamantane
PubChem CID153320243
Molecular FormulaC13H22
Molecular Weight179.33 g/mol
Exact Mass179.18
IUPAC Name2-(2-deuteriopropan-2-yl)adamantane
SMILES[2H]C(C)(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3/i8D
InChIKeyGNFZEYQQRJBGMB-BNEYPBHNSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-deuteriopropan-2-yl)adamantane?
The IUPAC name of 2-(2-deuteriopropan-2-yl)adamantane (CID 153320243) is 2-(2-deuteriopropan-2-yl)adamantane.
What is the SMILES notation for 2-(2-deuteriopropan-2-yl)adamantane?
The canonical SMILES for 2-(2-deuteriopropan-2-yl)adamantane is [2H]C(C)(C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-deuteriopropan-2-yl)adamantane?
The InChIKey is GNFZEYQQRJBGMB-BNEYPBHNSA-N. The full InChI is InChI=1S/C13H22/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3/i8D.
What are the key properties of 2-(2-deuteriopropan-2-yl)adamantane?
2-(2-deuteriopropan-2-yl)adamantane has a molecular weight of 179.33 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuteriopropan-2-yl)adamantane is sourced from PubChem (CID 153320243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).