methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate

C14H16O5 — CID 10801541

IUPACmethyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
SMILESC=C[C@@H]1[C@H]2CO[C@@]3(OC)C(=O)[C@@H]1C=C(C(=O)OC)[C@@H]23
InChIInChI=1S/C14H16O5/c1-4-7-8-5-9(13(16)17-2)11-10(7)6-19-14(11,18-3)12(8)15/h4-5,7-8,10-11H,1,6H2,2-3H3/t7-,8+,10+,11-,14+/m0/s1
InChIKeyXNTNIKODHBZYSR-GCVBLCJJSA-N
MW264.28 g/mol
LogP0.71
Rot. Bonds3

About methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate

methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate (PubChem CID 10801541) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
PubChem CID10801541
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
SMILESC=C[C@@H]1[C@H]2CO[C@@]3(OC)C(=O)[C@@H]1C=C(C(=O)OC)[C@@H]23
InChIInChI=1S/C14H16O5/c1-4-7-8-5-9(13(16)17-2)11-10(7)6-19-14(11,18-3)12(8)15/h4-5,7-8,10-11H,1,6H2,2-3H3/t7-,8+,10+,11-,14+/m0/s1
InChIKeyXNTNIKODHBZYSR-GCVBLCJJSA-N
XLogP0.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The IUPAC name of methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate (CID 10801541) is methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate.
What is the SMILES notation for methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The canonical SMILES for methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate is C=C[C@@H]1[C@H]2CO[C@@]3(OC)C(=O)[C@@H]1C=C(C(=O)OC)[C@@H]23.
What is the InChIKey of methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The InChIKey is XNTNIKODHBZYSR-GCVBLCJJSA-N. The full InChI is InChI=1S/C14H16O5/c1-4-7-8-5-9(13(16)17-2)11-10(7)6-19-14(11,18-3)12(8)15/h4-5,7-8,10-11H,1,6H2,2-3H3/t7-,8+,10+,11-,14+/m0/s1.
What are the key properties of methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,3R,6R,7R,10R)-10-ethenyl-3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate is sourced from PubChem (CID 10801541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).