5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene

C11H18 — CID 23678565

IUPAC5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene
SMILESCC1=CC=CC1CC(C)(C)C
InChIInChI=1S/C11H18/c1-9-6-5-7-10(9)8-11(2,3)4/h5-7,10H,8H2,1-4H3
InChIKeyQTXARSQWUNCGMQ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene

5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene (PubChem CID 23678565) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene
PubChem CID23678565
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene
SMILESCC1=CC=CC1CC(C)(C)C
InChIInChI=1S/C11H18/c1-9-6-5-7-10(9)8-11(2,3)4/h5-7,10H,8H2,1-4H3
InChIKeyQTXARSQWUNCGMQ-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
CID 174480291
3-(2,2-dimethylpropyl)-7-methyl-3H-azepine
CID 142233566
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
5-(2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 15913732
(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 150982672
5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene
CID 175708631
5-cyclopenta-2,4-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 15153107
2-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123235064
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
CID 174427609
3-(2,2-dimethylbutyl)-1-methylcyclopropene
CID 123546258
dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 139699557
2-methyl-N-[2-[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]propan-2-yl]propan-2-amine
CID 154499995

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene (CID 23678565) is 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene is CC1=CC=CC1CC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene?
The InChIKey is QTXARSQWUNCGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-9-6-5-7-10(9)8-11(2,3)4/h5-7,10H,8H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene?
5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 23678565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).