2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane

C85H154 — CID 165064134

IUPAC2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane
SMILES[2H]C(C)(C)C1C2CC1C2.[2H]C(C)(C)C1C2CCC1C2.[2H]C(C)(C)C1C2CCC1CC2.[2H]C(C)(C)C1CC2CC1C2.[2H]C(C)(C)C1CC2CCC1C2.[2H]C(C)(C)C1CCCC1.[2H]C(C)(C)C1CCCCC1.[2H]C(C)C1C2CC3CC(C2)CC1C3.[2H]C(C)C1CC2CCC1CC2
InChIInChI=1S/C12H20.3C10H18.2C9H16.C9H18.C8H14.C8H16/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-2-9-7-8-3-5-10(9)6-4-8;1-6(2)9-5-7-3-8(9)4-7;1-6(2)9-7-3-4-8(9)5-7;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6-3-7(8)4-6;1-7(2)8-5-3-4-6-8/h8-12H,2-7H2,1H3;2*7-10H,3-6H2,1-2H3;8-10H,2-7H2,1H3;2*6-9H,3-5H2,1-2H3;8-9H,3-7H2,1-2H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3/i2D;2*7D;2D;2*6D;8D;5D;7D
InChIKeyRROODNJYTGCGMT-WFBMHOQESA-N
MW1185.22 g/mol
LogP26.58
Rot. Bonds9

About 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane

2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane (PubChem CID 165064134) has the molecular formula C85H154 and a molecular weight of 1185.22 g/mol. Its IUPAC name is 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane.

Molecular Properties

Compound Name2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane
PubChem CID165064134
Molecular FormulaC85H154
Molecular Weight1185.22 g/mol
Exact Mass1184.26
IUPAC Name2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane
SMILES[2H]C(C)(C)C1C2CC1C2.[2H]C(C)(C)C1C2CCC1C2.[2H]C(C)(C)C1C2CCC1CC2.[2H]C(C)(C)C1CC2CC1C2.[2H]C(C)(C)C1CC2CCC1C2.[2H]C(C)(C)C1CCCC1.[2H]C(C)(C)C1CCCCC1.[2H]C(C)C1C2CC3CC(C2)CC1C3.[2H]C(C)C1CC2CCC1CC2
InChIInChI=1S/C12H20.3C10H18.2C9H16.C9H18.C8H14.C8H16/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-2-9-7-8-3-5-10(9)6-4-8;1-6(2)9-5-7-3-8(9)4-7;1-6(2)9-7-3-4-8(9)5-7;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6-3-7(8)4-6;1-7(2)8-5-3-4-6-8/h8-12H,2-7H2,1H3;2*7-10H,3-6H2,1-2H3;8-10H,2-7H2,1H3;2*6-9H,3-5H2,1-2H3;8-9H,3-7H2,1-2H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3/i2D;2*7D;2D;2*6D;8D;5D;7D
InChIKeyRROODNJYTGCGMT-WFBMHOQESA-N
XLogP26.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.22
LogP ≤ 526.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane?
The IUPAC name of 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane (CID 165064134) is 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane.
What is the SMILES notation for 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane?
The canonical SMILES for 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane is [2H]C(C)(C)C1C2CC1C2.[2H]C(C)(C)C1C2CCC1C2.[2H]C(C)(C)C1C2CCC1CC2.[2H]C(C)(C)C1CC2CC1C2.[2H]C(C)(C)C1CC2CCC1C2.[2H]C(C)(C)C1CCCC1.[2H]C(C)(C)C1CCCCC1.[2H]C(C)C1C2CC3CC(C2)CC1C3.[2H]C(C)C1CC2CCC1CC2.
What is the InChIKey of 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane?
The InChIKey is RROODNJYTGCGMT-WFBMHOQESA-N. The full InChI is InChI=1S/C12H20.3C10H18.2C9H16.C9H18.C8H14.C8H16/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;1-7(2)10-6-8-3-4-9(10)5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-2-9-7-8-3-5-10(9)6-4-8;1-6(2)9-5-7-3-8(9)4-7;1-6(2)9-7-3-4-8(9)5-7;1-8(2)9-6-4-3-5-7-9;1-5(2)8-6-3-7(8)4-6;1-7(2)8-5-3-4-6-8/h8-12H,2-7H2,1H3;2*7-10H,3-6H2,1-2H3;8-10H,2-7H2,1H3;2*6-9H,3-5H2,1-2H3;8-9H,3-7H2,1-2H3;5-8H,3-4H2,1-2H3;7-8H,3-6H2,1-2H3/i2D;2*7D;2D;2*6D;8D;5D;7D.
What are the key properties of 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane?
2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane has a molecular weight of 1185.22 g/mol, XLogP of 26.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-deuterioethyl)adamantane;2-(1-deuterioethyl)bicyclo[2.2.2]octane;2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;7-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane;2-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;5-(2-deuteriopropan-2-yl)bicyclo[2.1.1]hexane;2-(2-deuteriopropan-2-yl)bicyclo[1.1.1]pentane;2-deuteriopropan-2-ylcyclohexane;2-deuteriopropan-2-ylcyclopentane is sourced from PubChem (CID 165064134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).