cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate

C13H20O2 — CID 102361777

IUPACcis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OCC)CC[C@@H]1C(=C)C
InChIInChI=1S/C13H20O2/c1-5-8-13(12(14)15-6-2)9-7-11(13)10(3)4/h5,11H,1,3,6-9H2,2,4H3/t11-,13+/m1/s1
InChIKeyNIGAFLVMINMJHB-YPMHNXCESA-N
MW208.30 g/mol
LogP3.10
Rot. Bonds5

About cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate

cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate (PubChem CID 102361777) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate
PubChem CID102361777
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namecis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate
SMILESC=CC[C@]1(C(=O)OCC)CC[C@@H]1C(=C)C
InChIInChI=1S/C13H20O2/c1-5-8-13(12(14)15-6-2)9-7-11(13)10(3)4/h5,11H,1,3,6-9H2,2,4H3/t11-,13+/m1/s1
InChIKeyNIGAFLVMINMJHB-YPMHNXCESA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.10
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 cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate (CID 102361777) is cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate is C=CC[C@]1(C(=O)OCC)CC[C@@H]1C(=C)C.
What is the InChIKey of cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate?
The InChIKey is NIGAFLVMINMJHB-YPMHNXCESA-N. The full InChI is InChI=1S/C13H20O2/c1-5-8-13(12(14)15-6-2)9-7-11(13)10(3)4/h5,11H,1,3,6-9H2,2,4H3/t11-,13+/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate?
cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate is sourced from PubChem (CID 102361777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).