2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene

C12H18 — CID 14688283

IUPAC2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C12H18/c1-9(2)10-6-7-11(8-10)12(3,4)5/h6-8H,1-5H3
InChIKeyFFEXBNSBUHRMOY-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds

About 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene

2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene (PubChem CID 14688283) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene
PubChem CID14688283
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene
SMILESCC(C)=C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C12H18/c1-9(2)10-6-7-11(8-10)12(3,4)5/h6-8H,1-5H3
InChIKeyFFEXBNSBUHRMOY-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene?
The IUPAC name of 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene (CID 14688283) is 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene.
What is the SMILES notation for 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene?
The canonical SMILES for 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene is CC(C)=C1C=CC(C(C)(C)C)=C1.
What is the InChIKey of 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene?
The InChIKey is FFEXBNSBUHRMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9(2)10-6-7-11(8-10)12(3,4)5/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene?
2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-ylidenecyclopenta-1,3-diene is sourced from PubChem (CID 14688283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).