11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one

C14H16O5 — CID 597412

IUPAC11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one
SMILESCC=C1C(=O)OC23C=CC4CC(OC)OC(OC12)C43
InChIInChI=1S/C14H16O5/c1-3-8-11-14(19-12(8)15)5-4-7-6-9(16-2)17-13(18-11)10(7)14/h3-5,7,9-11,13H,6H2,1-2H3
InChIKeyWZVNVBISBZZBTD-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.15
Rot. Bonds1

About 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one

11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one (PubChem CID 597412) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one.

Molecular Properties

Compound Name11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one
PubChem CID597412
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one
SMILESCC=C1C(=O)OC23C=CC4CC(OC)OC(OC12)C43
InChIInChI=1S/C14H16O5/c1-3-8-11-14(19-12(8)15)5-4-7-6-9(16-2)17-13(18-11)10(7)14/h3-5,7,9-11,13H,6H2,1-2H3
InChIKeyWZVNVBISBZZBTD-UHFFFAOYSA-N
XLogP1.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one?
The IUPAC name of 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one (CID 597412) is 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one.
What is the SMILES notation for 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one?
The canonical SMILES for 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one is CC=C1C(=O)OC23C=CC4CC(OC)OC(OC12)C43.
What is the InChIKey of 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one?
The InChIKey is WZVNVBISBZZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-3-8-11-14(19-12(8)15)5-4-7-6-9(16-2)17-13(18-11)10(7)14/h3-5,7,9-11,13H,6H2,1-2H3.
What are the key properties of 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one?
11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one has a molecular weight of 264.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethylidene-6-methoxy-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradec-2-en-12-one is sourced from PubChem (CID 597412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).