(9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione

C19H20O3 — CID 146682435

IUPAC(9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione
SMILESCC(C)C1=CC(=O)C2=C3OC(=O)C4=C3[C@](C)(CC=C12)CCC4
InChIInChI=1S/C19H20O3/c1-10(2)13-9-14(20)15-11(13)6-8-19(3)7-4-5-12-16(19)17(15)22-18(12)21/h6,9-10H,4-5,7-8H2,1-3H3/t19-/m0/s1
InChIKeySUVNZKPKTKQRDF-IBGZPJMESA-N
MW296.37 g/mol
LogP3.78
Rot. Bonds1

About (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione

(9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione (PubChem CID 146682435) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione.

Molecular Properties

Compound Name(9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione
PubChem CID146682435
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione
SMILESCC(C)C1=CC(=O)C2=C3OC(=O)C4=C3[C@](C)(CC=C12)CCC4
InChIInChI=1S/C19H20O3/c1-10(2)13-9-14(20)15-11(13)6-8-19(3)7-4-5-12-16(19)17(15)22-18(12)21/h6,9-10H,4-5,7-8H2,1-3H3/t19-/m0/s1
InChIKeySUVNZKPKTKQRDF-IBGZPJMESA-N
XLogP3.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione?
The IUPAC name of (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione (CID 146682435) is (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione.
What is the SMILES notation for (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione?
The canonical SMILES for (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione is CC(C)C1=CC(=O)C2=C3OC(=O)C4=C3[C@](C)(CC=C12)CCC4.
What is the InChIKey of (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione?
The InChIKey is SUVNZKPKTKQRDF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20O3/c1-10(2)13-9-14(20)15-11(13)6-8-19(3)7-4-5-12-16(19)17(15)22-18(12)21/h6,9-10H,4-5,7-8H2,1-3H3/t19-/m0/s1.
What are the key properties of (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione?
(9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione has a molecular weight of 296.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-methyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,6,13(16)-tetraene-3,14-dione is sourced from PubChem (CID 146682435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).