ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate

C15H18O4 — CID 10015560

IUPACethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate
SMILESCCOC(=O)[C@@]12C=CC3(OCCO3)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C15H18O4/c1-2-17-13(16)14-5-6-15(18-7-8-19-15)12(14)10-3-4-11(14)9-10/h3-6,10-12H,2,7-9H2,1H3/t10-,11+,12-,14-/m1/s1
InChIKeyGIFLTCZINBLJRP-GFQSEFKGSA-N
MW262.30 g/mol
LogP1.67
Rot. Bonds2

About ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate

ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate (PubChem CID 10015560) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate.

Molecular Properties

Compound Nameethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate
PubChem CID10015560
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Nameethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate
SMILESCCOC(=O)[C@@]12C=CC3(OCCO3)[C@@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C15H18O4/c1-2-17-13(16)14-5-6-15(18-7-8-19-15)12(14)10-3-4-11(14)9-10/h3-6,10-12H,2,7-9H2,1H3/t10-,11+,12-,14-/m1/s1
InChIKeyGIFLTCZINBLJRP-GFQSEFKGSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate with MolForge

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Related Compounds

methyl (1R,2R,3R,4S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11747115
(4S)-4-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 59963423
Methyl 2-(1,3-dioxolan-4-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 70143660
5-Cyclopent-2-en-1-yloxy-4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 70564349
ethyl 7-[(8R,9R)-8-[2-[2-(2-methylhexan-2-yl)-1,3-dioxolan-2-yl]ethenyl]-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoate
CID 70594838
ethyl 7-[(8R,9R)-8-[2-[2-(2-methylheptan-2-yl)-1,3-dioxolan-2-yl]ethenyl]-1,4-dioxaspiro[4.4]nonan-9-yl]heptanoate
CID 70596445
(2,2-Dimethyl-1,3-dioxolan-4-yl) 1-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 172831859
(1S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane]-2'-one
CID 10849218
methyl (1'S,2'R,6'S,7'R)-spiro[1,3-dioxolane-2,10'-tricyclo[5.2.1.02,6]deca-3,8-diene]-8'-carboxylate
CID 10955890
methyl (1R,2S,3R,4S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11097058
methyl (3aR,7aS)-2,2,6-trimethylspiro[1,3,7,7a-tetrahydroindene-4,2'-1,3-dioxolane]-3a-carboxylate
CID 11097941
methyl (1S,2R,5R,6S,7R)-5-(methoxymethoxymethyl)-3-propan-2-yltricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylate
CID 11150914

Frequently Asked Questions

What is the IUPAC name of ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate?
The IUPAC name of ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate (CID 10015560) is ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate.
What is the SMILES notation for ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate?
The canonical SMILES for ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate is CCOC(=O)[C@@]12C=CC3(OCCO3)[C@@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate?
The InChIKey is GIFLTCZINBLJRP-GFQSEFKGSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-17-13(16)14-5-6-15(18-7-8-19-15)12(14)10-3-4-11(14)9-10/h3-6,10-12H,2,7-9H2,1H3/t10-,11+,12-,14-/m1/s1.
What are the key properties of ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate?
ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate has a molecular weight of 262.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1'R,2'R,6'R,7'S)-spiro[1,3-dioxolane-2,5'-tricyclo[5.2.1.02,6]deca-3,8-diene]-2'-carboxylate is sourced from PubChem (CID 10015560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).