6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione

C20H20O5 — CID 24807824

IUPAC6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
SMILESCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)CC3=O
InChIInChI=1S/C20H20O5/c1-5-11-9-14(22)24-19-15(11)18-12(6-7-20(3,4)25-18)17-16(19)13(21)8-10(2)23-17/h6-7,9-10H,5,8H2,1-4H3
InChIKeySTVGZSVHXWEUMP-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.89
Rot. Bonds1

About 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione

6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione (PubChem CID 24807824) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione.

Molecular Properties

Compound Name6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
PubChem CID24807824
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
SMILESCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)CC3=O
InChIInChI=1S/C20H20O5/c1-5-11-9-14(22)24-19-15(11)18-12(6-7-20(3,4)25-18)17-16(19)13(21)8-10(2)23-17/h6-7,9-10H,5,8H2,1-4H3
InChIKeySTVGZSVHXWEUMP-UHFFFAOYSA-N
XLogP3.89
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione?
The IUPAC name of 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione (CID 24807824) is 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione.
What is the SMILES notation for 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione?
The canonical SMILES for 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione is CCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)CC3=O.
What is the InChIKey of 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione?
The InChIKey is STVGZSVHXWEUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-5-11-9-14(22)24-19-15(11)18-12(6-7-20(3,4)25-18)17-16(19)13(21)8-10(2)23-17/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione?
6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione has a molecular weight of 340.38 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10,10,16-trimethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione is sourced from PubChem (CID 24807824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).