2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate

C12H18O2 — CID 101186446

IUPAC2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate
SMILESC=CC1=CC(C(C)(C)OC(C)=O)CC1
InChIInChI=1S/C12H18O2/c1-5-10-6-7-11(8-10)12(3,4)14-9(2)13/h5,8,11H,1,6-7H2,2-4H3
InChIKeyCYJYFTIRZIUMEN-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.85
Rot. Bonds3

About 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate

2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate (PubChem CID 101186446) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate.

Molecular Properties

Compound Name2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate
PubChem CID101186446
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate
SMILESC=CC1=CC(C(C)(C)OC(C)=O)CC1
InChIInChI=1S/C12H18O2/c1-5-10-6-7-11(8-10)12(3,4)14-9(2)13/h5,8,11H,1,6-7H2,2-4H3
InChIKeyCYJYFTIRZIUMEN-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate?
The IUPAC name of 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate (CID 101186446) is 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate.
What is the SMILES notation for 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate?
The canonical SMILES for 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate is C=CC1=CC(C(C)(C)OC(C)=O)CC1.
What is the InChIKey of 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate?
The InChIKey is CYJYFTIRZIUMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-10-6-7-11(8-10)12(3,4)14-9(2)13/h5,8,11H,1,6-7H2,2-4H3.
What are the key properties of 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate?
2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate has a molecular weight of 194.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylcyclopent-2-en-1-yl)propan-2-yl acetate is sourced from PubChem (CID 101186446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).