16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one

C18H24O5 — CID 68870378

IUPAC16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one
SMILESCOc1cc(O)c2c(c1)OCCCCC=CCCCCOC2=O
InChIInChI=1S/C18H24O5/c1-21-14-12-15(19)17-16(13-14)22-10-8-6-4-2-3-5-7-9-11-23-18(17)20/h2-3,12-13,19H,4-11H2,1H3
InChIKeyMBWRTCHFUMMLSW-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.85
Rot. Bonds1

About 16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one

16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one (PubChem CID 68870378) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is 16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one.

Molecular Properties

Compound Name16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one
PubChem CID68870378
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one
SMILESCOc1cc(O)c2c(c1)OCCCCC=CCCCCOC2=O
InChIInChI=1S/C18H24O5/c1-21-14-12-15(19)17-16(13-14)22-10-8-6-4-2-3-5-7-9-11-23-18(17)20/h2-3,12-13,19H,4-11H2,1H3
InChIKeyMBWRTCHFUMMLSW-UHFFFAOYSA-N
XLogP3.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one?
The IUPAC name of 16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one (CID 68870378) is 16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one.
What is the SMILES notation for 16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one?
The canonical SMILES for 16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one is COc1cc(O)c2c(c1)OCCCCC=CCCCCOC2=O.
What is the InChIKey of 16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one?
The InChIKey is MBWRTCHFUMMLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-21-14-12-15(19)17-16(13-14)22-10-8-6-4-2-3-5-7-9-11-23-18(17)20/h2-3,12-13,19H,4-11H2,1H3.
What are the key properties of 16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one?
16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one has a molecular weight of 320.38 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-18-methoxy-2,13-dioxabicyclo[13.4.0]nonadeca-1(19),7,15,17-tetraen-14-one is sourced from PubChem (CID 68870378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).