17-methyl-6,10-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

C22H24O5 — CID 24805863

IUPAC17-methyl-6,10-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(CCC)C=C4)OCC(C)C3=O
InChIInChI=1S/C22H24O5/c1-4-6-13-10-16(23)27-22-17(13)21-15(9-8-14(26-21)7-5-2)20-18(22)19(24)12(3)11-25-20/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyAVWJHYIKAVINDW-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.53
Rot. Bonds4

About 17-methyl-6,10-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

17-methyl-6,10-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 24805863) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is 17-methyl-6,10-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 Name17-methyl-6,10-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 CID24805863
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name17-methyl-6,10-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(CCC)C=C4)OCC(C)C3=O
InChIInChI=1S/C22H24O5/c1-4-6-13-10-16(23)27-22-17(13)21-15(9-8-14(26-21)7-5-2)20-18(22)19(24)12(3)11-25-20/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyAVWJHYIKAVINDW-UHFFFAOYSA-N
XLogP4.53
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 17-methyl-6,10-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 17-methyl-6,10-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 17-methyl-6,10-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 24805863) is 17-methyl-6,10-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 17-methyl-6,10-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 17-methyl-6,10-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(CCC)C=C4)OCC(C)C3=O.
What is the InChIKey of 17-methyl-6,10-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 AVWJHYIKAVINDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5/c1-4-6-13-10-16(23)27-22-17(13)21-15(9-8-14(26-21)7-5-2)20-18(22)19(24)12(3)11-25-20/h8-10,12,14H,4-7,11H2,1-3H3.
What are the key properties of 17-methyl-6,10-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?
17-methyl-6,10-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 368.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-6,10-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 24805863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).