1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene

C9H14 — CID 71309507

IUPAC1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene
SMILES[2H]C([2H])([2H])C1=C(C)CC(C)=C1C
InChIInChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3/i3D3
InChIKeyVNPQQEYMXYCAEZ-HPRDVNIFSA-N
MW125.23 g/mol
LogP3.06
Rot. Bonds1

About 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene

1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene (PubChem CID 71309507) has the molecular formula C9H14 and a molecular weight of 125.23 g/mol. Its IUPAC name is 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene
PubChem CID71309507
Molecular FormulaC9H14
Molecular Weight125.23 g/mol
Exact Mass125.13
IUPAC Name1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene
SMILES[2H]C([2H])([2H])C1=C(C)CC(C)=C1C
InChIInChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3/i3D3
InChIKeyVNPQQEYMXYCAEZ-HPRDVNIFSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene (CID 71309507) is 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene is [2H]C([2H])([2H])C1=C(C)CC(C)=C1C.
What is the InChIKey of 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene?
The InChIKey is VNPQQEYMXYCAEZ-HPRDVNIFSA-N. The full InChI is InChI=1S/C9H14/c1-6-5-7(2)9(4)8(6)3/h5H2,1-4H3/i3D3.
What are the key properties of 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene?
1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene has a molecular weight of 125.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3-(trideuteriomethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 71309507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).