1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene

C11H18 — CID 23266468

IUPAC1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene
SMILES[2H]C([2H])([2H])C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H18/c1-7-8(2)10(4)11(5,6)9(7)3/h1-6H3/i5D3
InChIKeyXIMWQAKEMQUMTK-VPYROQPTSA-N
MW153.28 g/mol
LogP3.70
Rot. Bonds1

About 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene

1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene (PubChem CID 23266468) has the molecular formula C11H18 and a molecular weight of 153.28 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene
PubChem CID23266468
Molecular FormulaC11H18
Molecular Weight153.28 g/mol
Exact Mass153.16
IUPAC Name1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene
SMILES[2H]C([2H])([2H])C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H18/c1-7-8(2)10(4)11(5,6)9(7)3/h1-6H3/i5D3
InChIKeyXIMWQAKEMQUMTK-VPYROQPTSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene (CID 23266468) is 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene is [2H]C([2H])([2H])C1(C)C(C)=C(C)C(C)=C1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene?
The InChIKey is XIMWQAKEMQUMTK-VPYROQPTSA-N. The full InChI is InChI=1S/C11H18/c1-7-8(2)10(4)11(5,6)9(7)3/h1-6H3/i5D3.
What are the key properties of 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene?
1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene has a molecular weight of 153.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-5-(trideuteriomethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 23266468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).