1-tert-butyl-3-methylcyclopenta-1,2,4-triene

C10H14 — CID 164594909

IUPAC1-tert-butyl-3-methylcyclopenta-1,2,4-triene
SMILESCC1=C=C(C(C)(C)C)C=C1
InChIInChI=1S/C10H14/c1-8-5-6-9(7-8)10(2,3)4/h5-6H,1-4H3
InChIKeyWXKXOZJQOLBFCA-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.07
Rot. Bonds

About 1-tert-butyl-3-methylcyclopenta-1,2,4-triene

1-tert-butyl-3-methylcyclopenta-1,2,4-triene (PubChem CID 164594909) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-tert-butyl-3-methylcyclopenta-1,2,4-triene.

Molecular Properties

Compound Name1-tert-butyl-3-methylcyclopenta-1,2,4-triene
PubChem CID164594909
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-tert-butyl-3-methylcyclopenta-1,2,4-triene
SMILESCC1=C=C(C(C)(C)C)C=C1
InChIInChI=1S/C10H14/c1-8-5-6-9(7-8)10(2,3)4/h5-6H,1-4H3
InChIKeyWXKXOZJQOLBFCA-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Npc178565
CID 572119
1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572141
Pentamethylcyclopentadiene
CID 142539
Npc271042
CID 572140
Npc86941
CID 572142
Tert-butylcyclopentadiene
CID 633714
1,3-Cyclopentadiene, 2-(1-methylethyl)
CID 528172
1,5,5-Trimethylcyclopentadiene
CID 138162
5-Methyl-5-prop-1-enylcyclohexa-1,3-diene
CID 86041546
5,5-Dimethyl-1,3-cyclohexadiene
CID 10877069
1,3-Pentadiene, 2,4-di-t-butyl-
CID 5370147
Di-tert-butylcyclopentadiene
CID 3599405

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylcyclopenta-1,2,4-triene?
The IUPAC name of 1-tert-butyl-3-methylcyclopenta-1,2,4-triene (CID 164594909) is 1-tert-butyl-3-methylcyclopenta-1,2,4-triene.
What is the SMILES notation for 1-tert-butyl-3-methylcyclopenta-1,2,4-triene?
The canonical SMILES for 1-tert-butyl-3-methylcyclopenta-1,2,4-triene is CC1=C=C(C(C)(C)C)C=C1.
What is the InChIKey of 1-tert-butyl-3-methylcyclopenta-1,2,4-triene?
The InChIKey is WXKXOZJQOLBFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-5-6-9(7-8)10(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-3-methylcyclopenta-1,2,4-triene?
1-tert-butyl-3-methylcyclopenta-1,2,4-triene has a molecular weight of 134.22 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylcyclopenta-1,2,4-triene is sourced from PubChem (CID 164594909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).