(13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene

C14H10O — CID 15619633

IUPAC(13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene
SMILESC1=C[C@H]2O[C@@H]2c2c1ccc1ccccc21
InChIInChI=1S/C14H10O/c1-2-4-11-9(3-1)5-6-10-7-8-12-14(15-12)13(10)11/h1-8,12,14H/t12-,14+/m1/s1
InChIKeySHJAOFFXDWCMOC-OCCSQVGLSA-N
MW194.23 g/mol
LogP3.31
Rot. Bonds

About (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene

(13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene (PubChem CID 15619633) has the molecular formula C14H10O and a molecular weight of 194.23 g/mol. Its IUPAC name is (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene.

Molecular Properties

Compound Name(13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene
PubChem CID15619633
Molecular FormulaC14H10O
Molecular Weight194.23 g/mol
Exact Mass194.07
IUPAC Name(13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene
SMILESC1=C[C@H]2O[C@@H]2c2c1ccc1ccccc21
InChIInChI=1S/C14H10O/c1-2-4-11-9(3-1)5-6-10-7-8-12-14(15-12)13(10)11/h1-8,12,14H/t12-,14+/m1/s1
InChIKeySHJAOFFXDWCMOC-OCCSQVGLSA-N
XLogP3.31
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene?
The IUPAC name of (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene (CID 15619633) is (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene.
What is the SMILES notation for (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene?
The canonical SMILES for (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene is C1=C[C@H]2O[C@@H]2c2c1ccc1ccccc21.
What is the InChIKey of (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene?
The InChIKey is SHJAOFFXDWCMOC-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H10O/c1-2-4-11-9(3-1)5-6-10-7-8-12-14(15-12)13(10)11/h1-8,12,14H/t12-,14+/m1/s1.
What are the key properties of (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene?
(13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene has a molecular weight of 194.23 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13R,15R)-14-oxatetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene is sourced from PubChem (CID 15619633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).