10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione

C22H24O5 — CID 57262740

IUPAC10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione
SMILESCCCC1=CC(=O)OC2c3c(oc(C)c(C)c3=O)C3=C(OC(C)(C)C=C3)C12
InChIInChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-10,16,21H,6-7H2,1-5H3
InChIKeyYGCJSCUYQMQIQU-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.29
Rot. Bonds2

About 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione

10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione (PubChem CID 57262740) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione.

Molecular Properties

Compound Name10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione
PubChem CID57262740
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Name10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione
SMILESCCCC1=CC(=O)OC2c3c(oc(C)c(C)c3=O)C3=C(OC(C)(C)C=C3)C12
InChIInChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-10,16,21H,6-7H2,1-5H3
InChIKeyYGCJSCUYQMQIQU-UHFFFAOYSA-N
XLogP4.29
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione?
The IUPAC name of 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione (CID 57262740) is 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione.
What is the SMILES notation for 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione?
The canonical SMILES for 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione is CCCC1=CC(=O)OC2c3c(oc(C)c(C)c3=O)C3=C(OC(C)(C)C=C3)C12.
What is the InChIKey of 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione?
The InChIKey is YGCJSCUYQMQIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-10,16,21H,6-7H2,1-5H3.
What are the key properties of 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione?
10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione has a molecular weight of 368.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),5,8(13),11,16-pentaene-4,18-dione is sourced from PubChem (CID 57262740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).