2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate

C12H20O2 — CID 77140901

IUPAC2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate
SMILESC=C(C)C1CCC1(C)CCOC(C)=O
InChIInChI=1S/C12H20O2/c1-9(2)11-5-6-12(11,4)7-8-14-10(3)13/h11H,1,5-8H2,2-4H3
InChIKeyHOTBFDJPUVYSFO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds4

About 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate

2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate (PubChem CID 77140901) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate.

Molecular Properties

Compound Name2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate
PubChem CID77140901
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate
SMILESC=C(C)C1CCC1(C)CCOC(C)=O
InChIInChI=1S/C12H20O2/c1-9(2)11-5-6-12(11,4)7-8-14-10(3)13/h11H,1,5-8H2,2-4H3
InChIKeyHOTBFDJPUVYSFO-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate?
The IUPAC name of 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate (CID 77140901) is 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate.
What is the SMILES notation for 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate?
The canonical SMILES for 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate is C=C(C)C1CCC1(C)CCOC(C)=O.
What is the InChIKey of 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate?
The InChIKey is HOTBFDJPUVYSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)11-5-6-12(11,4)7-8-14-10(3)13/h11H,1,5-8H2,2-4H3.
What are the key properties of 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate?
2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate has a molecular weight of 196.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl acetate is sourced from PubChem (CID 77140901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).