16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene

C15H12O — CID 134977681

IUPAC16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene
SMILESC1=CC2C(=Cc3ccccc31)C1C=CC2O1
InChIInChI=1S/C15H12O/c1-2-4-11-9-13-12(6-5-10(11)3-1)14-7-8-15(13)16-14/h1-9,12,14-15H
InChIKeyIYZOVKSUCCIVGJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.05
Rot. Bonds

About 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene

16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene (PubChem CID 134977681) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene.

Molecular Properties

Compound Name16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene
PubChem CID134977681
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene
SMILESC1=CC2C(=Cc3ccccc31)C1C=CC2O1
InChIInChI=1S/C15H12O/c1-2-4-11-9-13-12(6-5-10(11)3-1)14-7-8-15(13)16-14/h1-9,12,14-15H
InChIKeyIYZOVKSUCCIVGJ-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene?
The IUPAC name of 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene (CID 134977681) is 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene.
What is the SMILES notation for 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene?
The canonical SMILES for 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene is C1=CC2C(=Cc3ccccc31)C1C=CC2O1.
What is the InChIKey of 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene?
The InChIKey is IYZOVKSUCCIVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-2-4-11-9-13-12(6-5-10(11)3-1)14-7-8-15(13)16-14/h1-9,12,14-15H.
What are the key properties of 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene?
16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene has a molecular weight of 208.26 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-oxatetracyclo[11.2.1.02,12.04,9]hexadeca-2,4,6,8,10,14-hexaene is sourced from PubChem (CID 134977681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).