tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate

C16H22O3 — CID 129283613

IUPACtert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate
SMILESCC(C)(C)OC(=O)/C=C1/CC2CC(C3COC3)=CC12
InChIInChI=1S/C16H22O3/c1-16(2,3)19-15(17)7-12-5-11-4-10(6-14(11)12)13-8-18-9-13/h6-7,11,13-14H,4-5,8-9H2,1-3H3/b12-7-
InChIKeyGHOYAYSKFVZNRT-GHXNOFRVSA-N
MW262.35 g/mol
LogP2.87
Rot. Bonds2

About tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate

tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate (PubChem CID 129283613) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate.

Molecular Properties

Compound Nametert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate
PubChem CID129283613
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nametert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate
SMILESCC(C)(C)OC(=O)/C=C1/CC2CC(C3COC3)=CC12
InChIInChI=1S/C16H22O3/c1-16(2,3)19-15(17)7-12-5-11-4-10(6-14(11)12)13-8-18-9-13/h6-7,11,13-14H,4-5,8-9H2,1-3H3/b12-7-
InChIKeyGHOYAYSKFVZNRT-GHXNOFRVSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
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 tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate 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 tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate?
The IUPAC name of tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate (CID 129283613) is tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate.
What is the SMILES notation for tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate?
The canonical SMILES for tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate is CC(C)(C)OC(=O)/C=C1/CC2CC(C3COC3)=CC12.
What is the InChIKey of tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate?
The InChIKey is GHOYAYSKFVZNRT-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H22O3/c1-16(2,3)19-15(17)7-12-5-11-4-10(6-14(11)12)13-8-18-9-13/h6-7,11,13-14H,4-5,8-9H2,1-3H3/b12-7-.
What are the key properties of tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate?
tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate has a molecular weight of 262.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2Z)-2-[3-(oxetan-3-yl)-6-bicyclo[3.2.0]hept-3-enylidene]acetate is sourced from PubChem (CID 129283613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).