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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Related Compounds

[(1S,5S)-3-ethenyl-5-methylcyclohex-2-en-1-yl] acetate
CID 10511585
2-(2,4-dimethylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 21043305
2-[4-(2-acetyloxypropan-2-yl)cyclohexyl]propan-2-yl acetate
CID 20767497
(6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one
CID 46703549
(1R)-4-ethenylcyclohex-3-en-1-ol
CID 100956692
3-ethenylcyclohex-2-en-1-ol
CID 10866328
acetyl acetate;2-(2,4-dimethylcyclohex-3-en-1-yl)propan-2-ol;2-(2,4-dimethylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 158653710
(3-tert-butylcyclohexen-1-yl) acetate
CID 12692083
3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
tert-butyl acetate;cyclopropanamine
CID 174763638
4-O-[(1R)-3-ethenylcyclohex-2-en-1-yl] 1-O-ethyl (Z)-but-2-enedioate
CID 101345586
methyl 3-tert-butylcyclopentene-1-carboxylate
CID 15330595

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).