cyclobutane;2-methoxyethyl prop-2-enoate

C10H18O3 — CID 70581424

IUPACcyclobutane;2-methoxyethyl prop-2-enoate
SMILESC1CCC1.C=CC(=O)OCCOC
InChIInChI=1S/C6H10O3.C4H8/c1-3-6(7)9-5-4-8-2;1-2-4-3-1/h3H,1,4-5H2,2H3;1-4H2
InChIKeyCJKNKTSHTDQOQC-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds4

About cyclobutane;2-methoxyethyl prop-2-enoate

cyclobutane;2-methoxyethyl prop-2-enoate (PubChem CID 70581424) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is cyclobutane;2-methoxyethyl prop-2-enoate.

Molecular Properties

Compound Namecyclobutane;2-methoxyethyl prop-2-enoate
PubChem CID70581424
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namecyclobutane;2-methoxyethyl prop-2-enoate
SMILESC1CCC1.C=CC(=O)OCCOC
InChIInChI=1S/C6H10O3.C4H8/c1-3-6(7)9-5-4-8-2;1-2-4-3-1/h3H,1,4-5H2,2H3;1-4H2
InChIKeyCJKNKTSHTDQOQC-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;2-methoxyethyl prop-2-enoate?
The IUPAC name of cyclobutane;2-methoxyethyl prop-2-enoate (CID 70581424) is cyclobutane;2-methoxyethyl prop-2-enoate.
What is the SMILES notation for cyclobutane;2-methoxyethyl prop-2-enoate?
The canonical SMILES for cyclobutane;2-methoxyethyl prop-2-enoate is C1CCC1.C=CC(=O)OCCOC.
What is the InChIKey of cyclobutane;2-methoxyethyl prop-2-enoate?
The InChIKey is CJKNKTSHTDQOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H8/c1-3-6(7)9-5-4-8-2;1-2-4-3-1/h3H,1,4-5H2,2H3;1-4H2.
What are the key properties of cyclobutane;2-methoxyethyl prop-2-enoate?
cyclobutane;2-methoxyethyl prop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;2-methoxyethyl prop-2-enoate is sourced from PubChem (CID 70581424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).