(3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one

C19H18O3 — CID 177420189

IUPAC(3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
SMILESO=C1/C=C\c2ccccc2OCCCCOc2ccccc21
InChIInChI=1S/C19H18O3/c20-17-12-11-15-7-1-3-9-18(15)21-13-5-6-14-22-19-10-4-2-8-16(17)19/h1-4,7-12H,5-6,13-14H2/b12-11-
InChIKeyOWSVEDQEGIADRD-QXMHVHEDSA-N
MW294.35 g/mol
LogP4.13
Rot. Bonds

About (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one

(3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one (PubChem CID 177420189) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one.

Molecular Properties

Compound Name(3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
PubChem CID177420189
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one
SMILESO=C1/C=C\c2ccccc2OCCCCOc2ccccc21
InChIInChI=1S/C19H18O3/c20-17-12-11-15-7-1-3-9-18(15)21-13-5-6-14-22-19-10-4-2-8-16(17)19/h1-4,7-12H,5-6,13-14H2/b12-11-
InChIKeyOWSVEDQEGIADRD-QXMHVHEDSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one?
The IUPAC name of (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one (CID 177420189) is (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one.
What is the SMILES notation for (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one?
The canonical SMILES for (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one is O=C1/C=C\c2ccccc2OCCCCOc2ccccc21.
What is the InChIKey of (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one?
The InChIKey is OWSVEDQEGIADRD-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H18O3/c20-17-12-11-15-7-1-3-9-18(15)21-13-5-6-14-22-19-10-4-2-8-16(17)19/h1-4,7-12H,5-6,13-14H2/b12-11-.
What are the key properties of (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one?
(3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one has a molecular weight of 294.35 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-11,16-dioxatricyclo[15.4.0.05,10]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one is sourced from PubChem (CID 177420189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).