ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate

C15H22O2 — CID 14143762

IUPACethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate
SMILESC=C1CC(C(=O)OCC)C23CCCC12CCC3
InChIInChI=1S/C15H22O2/c1-3-17-13(16)12-10-11(2)14-6-4-8-15(12,14)9-5-7-14/h12H,2-10H2,1H3
InChIKeyKAJDHZNKKVJALA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.47
Rot. Bonds2

About ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate

ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate (PubChem CID 14143762) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate
PubChem CID14143762
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Nameethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate
SMILESC=C1CC(C(=O)OCC)C23CCCC12CCC3
InChIInChI=1S/C15H22O2/c1-3-17-13(16)12-10-11(2)14-6-4-8-15(12,14)9-5-7-14/h12H,2-10H2,1H3
InChIKeyKAJDHZNKKVJALA-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Penarine A
CID 156580377
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CID 10585882
ethyl 2-[(1S,3S)-1-methyl-2-methylidene-3-prop-1-en-2-ylcyclopentyl]acetate
CID 11299013
triethyl (1R,3aS,6aR)-3-methylidene-1,2,3a,4,6,6a-hexahydropentalene-1,5,5-tricarboxylate
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ethyl 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetate
CID 13572317
Ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate
CID 15924075
(4aR,6aS,9aS)-4a,6,6-trimethyl-9-methylidene-1,4,5,6a,7,8-hexahydropentaleno[6a,1-c]pyran-3-one
CID 102134107
triethyl (1R,3aS,6aS)-3a-methyl-3-methylidene-2,4,6,6a-tetrahydro-1H-pentalene-1,5,5-tricarboxylate
CID 138978749
(3aS,3bS,6R,6aR,7aS)-6-methyl-3b-prop-2-enyl-3a,4,6,6a,7,7a-hexahydro-3H-pentaleno[1,2-c]furan-1,5-dione
CID 168327970
(3aR,3bR,6R,6aS,7aR)-6-methyl-3b-prop-2-enyl-3a,4,6,6a,7,7a-hexahydro-3H-pentaleno[1,2-c]furan-1,5-dione
CID 168327971
methyl (3bR,6aS,7R,7aR)-5,5-dimethyl-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[b]pentalene-7-carboxylate
CID 338652
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate?
The IUPAC name of ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate (CID 14143762) is ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate.
What is the SMILES notation for ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate?
The canonical SMILES for ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate is C=C1CC(C(=O)OCC)C23CCCC12CCC3.
What is the InChIKey of ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate?
The InChIKey is KAJDHZNKKVJALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-17-13(16)12-10-11(2)14-6-4-8-15(12,14)9-5-7-14/h12H,2-10H2,1H3.
What are the key properties of ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate?
ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate has a molecular weight of 234.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate is sourced from PubChem (CID 14143762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).