14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one

C15H16O2 — CID 19107123

IUPAC14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one
SMILESO=C1OC2CCC3CCc4ccccc4C13C2
InChIInChI=1S/C15H16O2/c16-14-15-9-12(17-14)8-7-11(15)6-5-10-3-1-2-4-13(10)15/h1-4,11-12H,5-9H2
InChIKeyIYKINSVOYUIFHB-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.60
Rot. Bonds

About 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one

14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one (PubChem CID 19107123) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one.

Molecular Properties

Compound Name14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one
PubChem CID19107123
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one
SMILESO=C1OC2CCC3CCc4ccccc4C13C2
InChIInChI=1S/C15H16O2/c16-14-15-9-12(17-14)8-7-11(15)6-5-10-3-1-2-4-13(10)15/h1-4,11-12H,5-9H2
InChIKeyIYKINSVOYUIFHB-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one?
The IUPAC name of 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one (CID 19107123) is 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one.
What is the SMILES notation for 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one?
The canonical SMILES for 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one is O=C1OC2CCC3CCc4ccccc4C13C2.
What is the InChIKey of 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one?
The InChIKey is IYKINSVOYUIFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c16-14-15-9-12(17-14)8-7-11(15)6-5-10-3-1-2-4-13(10)15/h1-4,11-12H,5-9H2.
What are the key properties of 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one?
14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one has a molecular weight of 228.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6-trien-15-one is sourced from PubChem (CID 19107123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).