3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione

C16H16O4 — CID 91484211

IUPAC3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione
SMILESO=C1C2C=CC=CC2OC23C4COC2C(=O)C(C4)CC13
InChIInChI=1S/C16H16O4/c17-13-8-5-9-7-19-15(13)16(9)11(6-8)14(18)10-3-1-2-4-12(10)20-16/h1-4,8-12,15H,5-7H2
InChIKeyYQDCUHFMVBMMDP-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.06
Rot. Bonds

About 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione

3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione (PubChem CID 91484211) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione.

Molecular Properties

Compound Name3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione
PubChem CID91484211
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione
SMILESO=C1C2C=CC=CC2OC23C4COC2C(=O)C(C4)CC13
InChIInChI=1S/C16H16O4/c17-13-8-5-9-7-19-15(13)16(9)11(6-8)14(18)10-3-1-2-4-12(10)20-16/h1-4,8-12,15H,5-7H2
InChIKeyYQDCUHFMVBMMDP-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione?
The IUPAC name of 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione (CID 91484211) is 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione.
What is the SMILES notation for 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione?
The canonical SMILES for 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione is O=C1C2C=CC=CC2OC23C4COC2C(=O)C(C4)CC13.
What is the InChIKey of 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione?
The InChIKey is YQDCUHFMVBMMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c17-13-8-5-9-7-19-15(13)16(9)11(6-8)14(18)10-3-1-2-4-12(10)20-16/h1-4,8-12,15H,5-7H2.
What are the key properties of 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione?
3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione has a molecular weight of 272.30 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-5,7-diene-10,14-dione is sourced from PubChem (CID 91484211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).