(1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

C15H18O2 — CID 71559511

IUPAC(1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESC=CCC1(CC=C)OC(=O)[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C15H18O2/c1-3-7-15(8-4-2)13-11-6-5-10(9-11)12(13)14(16)17-15/h3-6,10-13H,1-2,7-9H2/t10-,11+,12+,13-/m1/s1
InChIKeyUYTZOQVWAWIOJS-MROQNXINSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds4

About (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one

(1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (PubChem CID 71559511) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.

Molecular Properties

Compound Name(1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
PubChem CID71559511
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
SMILESC=CCC1(CC=C)OC(=O)[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C15H18O2/c1-3-7-15(8-4-2)13-11-6-5-10(9-11)12(13)14(16)17-15/h3-6,10-13H,1-2,7-9H2/t10-,11+,12+,13-/m1/s1
InChIKeyUYTZOQVWAWIOJS-MROQNXINSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The IUPAC name of (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one (CID 71559511) is (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one.
What is the SMILES notation for (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The canonical SMILES for (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is C=CCC1(CC=C)OC(=O)[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
The InChIKey is UYTZOQVWAWIOJS-MROQNXINSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-7-15(8-4-2)13-11-6-5-10(9-11)12(13)14(16)17-15/h3-6,10-13H,1-2,7-9H2/t10-,11+,12+,13-/m1/s1.
What are the key properties of (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one?
(1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one has a molecular weight of 230.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one is sourced from PubChem (CID 71559511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).