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

C23H26O5 — CID 24806052

IUPAC10,10-dimethyl-6,16-dipropyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
SMILESCCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(CCC)CC3=O
InChIInChI=1S/C23H26O5/c1-5-7-13-11-17(25)27-22-18(13)21-15(9-10-23(3,4)28-21)20-19(22)16(24)12-14(26-20)8-6-2/h9-11,14H,5-8,12H2,1-4H3
InChIKeyWPFGQAYASBAEGS-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.06
Rot. Bonds4

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

10,10-dimethyl-6,16-dipropyl-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 24806052) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is 10,10-dimethyl-6,16-dipropyl-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 Name10,10-dimethyl-6,16-dipropyl-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 CID24806052
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name10,10-dimethyl-6,16-dipropyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
SMILESCCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(CCC)CC3=O
InChIInChI=1S/C23H26O5/c1-5-7-13-11-17(25)27-22-18(13)21-15(9-10-23(3,4)28-21)20-19(22)16(24)12-14(26-20)8-6-2/h9-11,14H,5-8,12H2,1-4H3
InChIKeyWPFGQAYASBAEGS-UHFFFAOYSA-N
XLogP5.06
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10,10-dimethyl-6,16-dipropyl-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 10,10-dimethyl-6,16-dipropyl-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 10,10-dimethyl-6,16-dipropyl-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 24806052) is 10,10-dimethyl-6,16-dipropyl-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 10,10-dimethyl-6,16-dipropyl-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 10,10-dimethyl-6,16-dipropyl-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 CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(CCC)CC3=O.
What is the InChIKey of 10,10-dimethyl-6,16-dipropyl-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 WPFGQAYASBAEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-5-7-13-11-17(25)27-22-18(13)21-15(9-10-23(3,4)28-21)20-19(22)16(24)12-14(26-20)8-6-2/h9-11,14H,5-8,12H2,1-4H3.
What are the key properties of 10,10-dimethyl-6,16-dipropyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione?
10,10-dimethyl-6,16-dipropyl-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 382.46 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-6,16-dipropyl-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 24806052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).