(5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione

C19H20O4 — CID 102189779

IUPAC(5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione
SMILESC[C@H]1COc2c1c(=O)oc(=O)c1c3c(ccc21)C(C)(C)CCC3
InChIInChI=1S/C19H20O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKeyROYYPPPACDMYJY-JTQLQIEISA-N
MW312.37 g/mol
LogP3.26
Rot. Bonds

About (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione

(5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione (PubChem CID 102189779) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione.

Molecular Properties

Compound Name(5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione
PubChem CID102189779
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione
SMILESC[C@H]1COc2c1c(=O)oc(=O)c1c3c(ccc21)C(C)(C)CCC3
InChIInChI=1S/C19H20O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKeyROYYPPPACDMYJY-JTQLQIEISA-N
XLogP3.26
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione with MolForge

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Related Compounds

Cryptotanshinone
CID 160254
1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro(1,2-b)furan-10,11-dione
CID 496348
Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
CID 6437076
Mansonone E
CID 94303
1,2-Benzenedicarboxylic acid, 1,2-bis(3,3,5-trimethylcyclohexyl) ester
CID 98024
(5R)-5,15-dimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11,13,15,17-hexaene-7,9-dione
CID 145993296
1,2-Benzenedicarboxylic acid, 1,2-bis[[tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl] ester
CID 118320
methyl 4-[(E)-3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoate
CID 13632690
Oleoyl neocryptotanshinone
CID 10483308
methyl (2R)-2-[3-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-1H-2-benzofuran-4-yl]propanoate
CID 14706908
1-Oxocryptotanshinone
CID 9995530
Dimethyl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
CID 11288106

Frequently Asked Questions

What is the IUPAC name of (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione?
The IUPAC name of (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione (CID 102189779) is (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione.
What is the SMILES notation for (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione?
The canonical SMILES for (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione is C[C@H]1COc2c1c(=O)oc(=O)c1c3c(ccc21)C(C)(C)CCC3.
What is the InChIKey of (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione?
The InChIKey is ROYYPPPACDMYJY-JTQLQIEISA-N. The full InChI is InChI=1S/C19H20O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione?
(5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione has a molecular weight of 312.37 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11(16),17-tetraene-7,9-dione is sourced from PubChem (CID 102189779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).