11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene

C16H12O — CID 86188661

IUPAC11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene
SMILESC1=C2CCC=C2Oc2ccc3ccccc3c21
InChIInChI=1S/C16H12O/c1-2-6-13-11(4-1)8-9-16-14(13)10-12-5-3-7-15(12)17-16/h1-2,4,6-10H,3,5H2
InChIKeyFMFMGLJJWWFIQS-UHFFFAOYSA-N
MW220.27 g/mol
LogP4.29
Rot. Bonds

About 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene

11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene (PubChem CID 86188661) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene.

Molecular Properties

Compound Name11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene
PubChem CID86188661
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene
SMILESC1=C2CCC=C2Oc2ccc3ccccc3c21
InChIInChI=1S/C16H12O/c1-2-6-13-11(4-1)8-9-16-14(13)10-12-5-3-7-15(12)17-16/h1-2,4,6-10H,3,5H2
InChIKeyFMFMGLJJWWFIQS-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene?
The IUPAC name of 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene (CID 86188661) is 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene.
What is the SMILES notation for 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene?
The canonical SMILES for 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene is C1=C2CCC=C2Oc2ccc3ccccc3c21.
What is the InChIKey of 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene?
The InChIKey is FMFMGLJJWWFIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c1-2-6-13-11(4-1)8-9-16-14(13)10-12-5-3-7-15(12)17-16/h1-2,4,6-10H,3,5H2.
What are the key properties of 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene?
11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene has a molecular weight of 220.27 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,16-heptaene is sourced from PubChem (CID 86188661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).