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

C15H18O5 — CID 11011315

IUPACmethyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
SMILESC/C=C/[C@@H]1[C@H]2CO[C@@]3(OC)C(=O)[C@@H]1C=C(C(=O)OC)[C@@H]23
InChIInChI=1S/C15H18O5/c1-4-5-8-9-6-10(14(17)18-2)12-11(8)7-20-15(12,19-3)13(9)16/h4-6,8-9,11-12H,7H2,1-3H3/b5-4+/t8-,9+,11+,12-,15+/m0/s1
InChIKeyIXFHXUWIARTGSL-ZHRBRYOMSA-N
MW278.30 g/mol
LogP1.10
Rot. Bonds3

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

methyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate (PubChem CID 11011315) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is methyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
PubChem CID11011315
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namemethyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
SMILESC/C=C/[C@@H]1[C@H]2CO[C@@]3(OC)C(=O)[C@@H]1C=C(C(=O)OC)[C@@H]23
InChIInChI=1S/C15H18O5/c1-4-5-8-9-6-10(14(17)18-2)12-11(8)7-20-15(12,19-3)13(9)16/h4-6,8-9,11-12H,7H2,1-3H3/b5-4+/t8-,9+,11+,12-,15+/m0/s1
InChIKeyIXFHXUWIARTGSL-ZHRBRYOMSA-N
XLogP1.10
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.10
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)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-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)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The IUPAC name of methyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate (CID 11011315) is methyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate.
What is the SMILES notation for methyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The canonical SMILES for methyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate is C/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)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
The InChIKey is IXFHXUWIARTGSL-ZHRBRYOMSA-N. The full InChI is InChI=1S/C15H18O5/c1-4-5-8-9-6-10(14(17)18-2)12-11(8)7-20-15(12,19-3)13(9)16/h4-6,8-9,11-12H,7H2,1-3H3/b5-4+/t8-,9+,11+,12-,15+/m0/s1.
What are the key properties of methyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate?
methyl (1S,3R,6R,7R,10R)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate has a molecular weight of 278.30 g/mol, XLogP of 1.10, 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)-3-methoxy-2-oxo-10-[(E)-prop-1-enyl]-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate is sourced from PubChem (CID 11011315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).