5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene

C10H16 — CID 169445508

IUPAC5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene
SMILES[2H]C([2H])([2H])C1=CCC(C(C)C)C=C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/i3D3
InChIKeyOGLDWXZKYODSOB-HPRDVNIFSA-N
MW139.26 g/mol
LogP3.16
Rot. Bonds2

About 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene

5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene (PubChem CID 169445508) has the molecular formula C10H16 and a molecular weight of 139.26 g/mol. Its IUPAC name is 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene
PubChem CID169445508
Molecular FormulaC10H16
Molecular Weight139.26 g/mol
Exact Mass139.14
IUPAC Name5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene
SMILES[2H]C([2H])([2H])C1=CCC(C(C)C)C=C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/i3D3
InChIKeyOGLDWXZKYODSOB-HPRDVNIFSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene (CID 169445508) is 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene is [2H]C([2H])([2H])C1=CCC(C(C)C)C=C1.
What is the InChIKey of 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene?
The InChIKey is OGLDWXZKYODSOB-HPRDVNIFSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/i3D3.
What are the key properties of 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene?
5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene has a molecular weight of 139.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(trideuteriomethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 169445508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).