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

C13H22O2 — CID 91694420

IUPAC2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate
SMILESC=C(C)C1CCC1(C)CCOC(=O)CC
InChIInChI=1S/C13H22O2/c1-5-12(14)15-9-8-13(4)7-6-11(13)10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyJUBMNPQMJVLLON-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds5

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

2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate (PubChem CID 91694420) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate.

Molecular Properties

Compound Name2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate
PubChem CID91694420
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate
SMILESC=C(C)C1CCC1(C)CCOC(=O)CC
InChIInChI=1S/C13H22O2/c1-5-12(14)15-9-8-13(4)7-6-11(13)10(2)3/h11H,2,5-9H2,1,3-4H3
InChIKeyJUBMNPQMJVLLON-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
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 propanoate?
The IUPAC name of 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate (CID 91694420) is 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate.
What is the SMILES notation for 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate?
The canonical SMILES for 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate is C=C(C)C1CCC1(C)CCOC(=O)CC.
What is the InChIKey of 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate?
The InChIKey is JUBMNPQMJVLLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-12(14)15-9-8-13(4)7-6-11(13)10(2)3/h11H,2,5-9H2,1,3-4H3.
What are the key properties of 2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate?
2-(1-methyl-2-prop-1-en-2-ylcyclobutyl)ethyl propanoate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 5 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 propanoate is sourced from PubChem (CID 91694420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).