2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane

C86H168 — CID 164949281

IUPAC2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane
SMILESCC(C)(C)C.CC1CCC2(CC1)CC(C)(C)CC(C)(C)C2.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCC2)CC1.CC1CCC2(CCCCC2)CC1.CCC12CC3CC(CC(C3)C1)C2.[2H]C([2H])(C)C(C)(C)C.[2H]C([2H])(C)C(C)C.[2H]C([2H])([2H])C(C)(C)C
InChIInChI=1S/C16H30.C14H26.C12H20.C12H22.C11H20.C6H14.3C5H12/c1-13-6-8-16(9-7-13)11-14(2,3)10-15(4,5)12-16;1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-10-4-8-11(9-5-10)6-2-3-7-11;1-5-6(2,3)4;2*1-5(2,3)4;1-4-5(2)3/h13H,6-12H2,1-5H3;12H,4-11H2,1-3H3;9-11H,2-8H2,1H3;11H,2-10H2,1H3;10H,2-9H2,1H3;5H2,1-4H3;2*1-4H3;5H,4H2,1-3H3/i;;;;;5D2;1D3;;4D2
InChIKeyAHMFJKLZBPSIIP-GNJBSKENSA-N
MW1209.33 g/mol
LogP30.32
Rot. Bonds2

About 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane

2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane (PubChem CID 164949281) has the molecular formula C86H168 and a molecular weight of 1209.33 g/mol. Its IUPAC name is 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane.

Molecular Properties

Compound Name2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane
PubChem CID164949281
Molecular FormulaC86H168
Molecular Weight1209.33 g/mol
Exact Mass1208.36
IUPAC Name2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane
SMILESCC(C)(C)C.CC1CCC2(CC1)CC(C)(C)CC(C)(C)C2.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCC2)CC1.CC1CCC2(CCCCC2)CC1.CCC12CC3CC(CC(C3)C1)C2.[2H]C([2H])(C)C(C)(C)C.[2H]C([2H])(C)C(C)C.[2H]C([2H])([2H])C(C)(C)C
InChIInChI=1S/C16H30.C14H26.C12H20.C12H22.C11H20.C6H14.3C5H12/c1-13-6-8-16(9-7-13)11-14(2,3)10-15(4,5)12-16;1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-10-4-8-11(9-5-10)6-2-3-7-11;1-5-6(2,3)4;2*1-5(2,3)4;1-4-5(2)3/h13H,6-12H2,1-5H3;12H,4-11H2,1-3H3;9-11H,2-8H2,1H3;11H,2-10H2,1H3;10H,2-9H2,1H3;5H2,1-4H3;2*1-4H3;5H,4H2,1-3H3/i;;;;;5D2;1D3;;4D2
InChIKeyAHMFJKLZBPSIIP-GNJBSKENSA-N
XLogP30.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001209.33
LogP ≤ 530.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane?
The IUPAC name of 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane (CID 164949281) is 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane.
What is the SMILES notation for 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane?
The canonical SMILES for 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane is CC(C)(C)C.CC1CCC2(CC1)CC(C)(C)CC(C)(C)C2.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCC2)CC1.CC1CCC2(CCCCC2)CC1.CCC12CC3CC(CC(C3)C1)C2.[2H]C([2H])(C)C(C)(C)C.[2H]C([2H])(C)C(C)C.[2H]C([2H])([2H])C(C)(C)C.
What is the InChIKey of 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane?
The InChIKey is AHMFJKLZBPSIIP-GNJBSKENSA-N. The full InChI is InChI=1S/C16H30.C14H26.C12H20.C12H22.C11H20.C6H14.3C5H12/c1-13-6-8-16(9-7-13)11-14(2,3)10-15(4,5)12-16;1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-10-4-8-11(9-5-10)6-2-3-7-11;1-5-6(2,3)4;2*1-5(2,3)4;1-4-5(2)3/h13H,6-12H2,1-5H3;12H,4-11H2,1-3H3;9-11H,2-8H2,1H3;11H,2-10H2,1H3;10H,2-9H2,1H3;5H2,1-4H3;2*1-4H3;5H,4H2,1-3H3/i;;;;;5D2;1D3;;4D2.
What are the key properties of 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane?
2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane has a molecular weight of 1209.33 g/mol, XLogP of 30.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-3,3-dimethylbutane;2,2-dideuterio-3-methylbutane;2,2-dimethylpropane;1-ethyladamantane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;1,1,1-trideuterio-2,2-dimethylpropane;3,3,9-trimethylspiro[5.5]undecane is sourced from PubChem (CID 164949281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).