ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate

C12H16O2 — CID 139300913

IUPACethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate
SMILESCCOC(=O)C=C1C2CC3CC1C2C3
InChIInChI=1S/C12H16O2/c1-2-14-12(13)6-11-9-4-7-3-8(9)10(11)5-7/h6-10H,2-5H2,1H3/b11-6-
InChIKeyMXJZMVDDRATOHA-WDZFZDKYSA-N
MW192.26 g/mol
LogP2.15
Rot. Bonds2

About ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate

ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate (PubChem CID 139300913) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate
PubChem CID139300913
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate
SMILESCCOC(=O)C=C1C2CC3CC1C2C3
InChIInChI=1S/C12H16O2/c1-2-14-12(13)6-11-9-4-7-3-8(9)10(11)5-7/h6-10H,2-5H2,1H3/b11-6-
InChIKeyMXJZMVDDRATOHA-WDZFZDKYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11789034
dimethyl (1S,4R,5S,6R)-3-(2-ethoxy-2-oxoethylidene)tetracyclo[3.3.0.02,8.04,6]octane-1,5-dicarboxylate
CID 72736137
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ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959
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-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977
ethyl (2Z)-2-(thiolan-2-ylidene)acetate
CID 14960020
ethyl 2-(3-methyloxiran-2-ylidene)acetate
CID 141372783
ethyl (2E)-2-[(1S,6S)-7-bicyclo[4.2.0]octanylidene]acetate
CID 59077267

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate?
The IUPAC name of ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate (CID 139300913) is ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate.
What is the SMILES notation for ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate?
The canonical SMILES for ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate is CCOC(=O)C=C1C2CC3CC1C2C3.
What is the InChIKey of ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate?
The InChIKey is MXJZMVDDRATOHA-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-14-12(13)6-11-9-4-7-3-8(9)10(11)5-7/h6-10H,2-5H2,1H3/b11-6-.
What are the key properties of ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate?
ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate has a molecular weight of 192.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tricyclo[3.2.1.03,6]octanylidene)acetate is sourced from PubChem (CID 139300913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).