2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane

C15H26O3 — CID 159790396

IUPAC2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane
SMILESC.CCOC(=O)C=C1CCC1.OCC=C1CCC1
InChIInChI=1S/C8H12O2.C6H10O.CH4/c1-2-10-8(9)6-7-4-3-5-7;7-5-4-6-2-1-3-6;/h6H,2-5H2,1H3;4,7H,1-3,5H2;1H4
InChIKeyNIMFWAANUWHMKY-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.38
Rot. Bonds3

About 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane

2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane (PubChem CID 159790396) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane.

Molecular Properties

Compound Name2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane
PubChem CID159790396
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane
SMILESC.CCOC(=O)C=C1CCC1.OCC=C1CCC1
InChIInChI=1S/C8H12O2.C6H10O.CH4/c1-2-10-8(9)6-7-4-3-5-7;7-5-4-6-2-1-3-6;/h6H,2-5H2,1H3;4,7H,1-3,5H2;1H4
InChIKeyNIMFWAANUWHMKY-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane?
The IUPAC name of 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane (CID 159790396) is 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane.
What is the SMILES notation for 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane?
The canonical SMILES for 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane is C.CCOC(=O)C=C1CCC1.OCC=C1CCC1.
What is the InChIKey of 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane?
The InChIKey is NIMFWAANUWHMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C6H10O.CH4/c1-2-10-8(9)6-7-4-3-5-7;7-5-4-6-2-1-3-6;/h6H,2-5H2,1H3;4,7H,1-3,5H2;1H4.
What are the key properties of 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane?
2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane has a molecular weight of 254.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane is sourced from PubChem (CID 159790396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).