ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate

C15H20O4 — CID 118044774

IUPACethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate
SMILESCCOC(=O)C=C1C(=O)C2(COC)CCC1C21CC1
InChIInChI=1S/C15H20O4/c1-3-19-12(16)8-10-11-4-5-15(9-18-2,13(10)17)14(11)6-7-14/h8,11H,3-7,9H2,1-2H3
InChIKeyACSKYMXFNCHRGS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.88
Rot. Bonds4

About ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate

ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate (PubChem CID 118044774) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate
PubChem CID118044774
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate
SMILESCCOC(=O)C=C1C(=O)C2(COC)CCC1C21CC1
InChIInChI=1S/C15H20O4/c1-3-19-12(16)8-10-11-4-5-15(9-18-2,13(10)17)14(11)6-7-14/h8,11H,3-7,9H2,1-2H3
InChIKeyACSKYMXFNCHRGS-UHFFFAOYSA-N
XLogP1.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate with MolForge

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Related Compounds

ethyl (2E)-2-[(1R,4R,8R)-2-oxatricyclo[6.3.0.01,4]undecan-3-ylidene]acetate
CID 177428792
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CID 59093977
ethyl (2E)-2-[(4aS,8aR)-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-ylidene]acetate
CID 57379455
ethyl 2-(3-methyloxiran-2-ylidene)acetate
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ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959
3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;ethyl prop-2-enoate
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ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate
CID 139300913
ethyl (E)-3-[(3aS,6aS)-4-oxo-1,2,3,5,6,6a-hexahydropentalen-3a-yl]prop-2-enoate
CID 11322007
ethyl (2Z)-2-(5-ethyl-2-oxocyclohexylidene)acetate
CID 121000789

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate?
The IUPAC name of ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate (CID 118044774) is ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate.
What is the SMILES notation for ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate?
The canonical SMILES for ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate is CCOC(=O)C=C1C(=O)C2(COC)CCC1C21CC1.
What is the InChIKey of ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate?
The InChIKey is ACSKYMXFNCHRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-19-12(16)8-10-11-4-5-15(9-18-2,13(10)17)14(11)6-7-14/h8,11H,3-7,9H2,1-2H3.
What are the key properties of ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate?
ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(methoxymethyl)-3-oxospiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-ylidene]acetate is sourced from PubChem (CID 118044774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).