2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene

C11H18 — CID 18463881

IUPAC2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(C)C=C1C(C)(C)C
InChIInChI=1S/C11H18/c1-8-6-9(2)10(7-8)11(3,4)5/h6-8H,1-5H3
InChIKeyKVNWRSITMKXVCB-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.55
Rot. Bonds

About 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene

2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene (PubChem CID 18463881) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene
PubChem CID18463881
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(C)C=C1C(C)(C)C
InChIInChI=1S/C11H18/c1-8-6-9(2)10(7-8)11(3,4)5/h6-8H,1-5H3
InChIKeyKVNWRSITMKXVCB-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene?
The IUPAC name of 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene (CID 18463881) is 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene is CC1=CC(C)C=C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene?
The InChIKey is KVNWRSITMKXVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8-6-9(2)10(7-8)11(3,4)5/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene?
2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene has a molecular weight of 150.26 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 18463881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).