16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione

C20H24O3 — CID 123614198

IUPAC16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione
SMILESCC1CC2=C(CC1=O)C1C=CC(=O)CC1C1C=CC(O)CC2C1
InChIInChI=1S/C20H24O3/c1-11-6-17-13-7-12(2-3-14(21)8-13)18-9-15(22)4-5-16(18)19(17)10-20(11)23/h2-5,11-14,16,18,21H,6-10H2,1H3
InChIKeyXVZMGOKBPLBSIW-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.00
Rot. Bonds

About 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione

16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione (PubChem CID 123614198) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione.

Molecular Properties

Compound Name16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione
PubChem CID123614198
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione
SMILESCC1CC2=C(CC1=O)C1C=CC(=O)CC1C1C=CC(O)CC2C1
InChIInChI=1S/C20H24O3/c1-11-6-17-13-7-12(2-3-14(21)8-13)18-9-15(22)4-5-16(18)19(17)10-20(11)23/h2-5,11-14,16,18,21H,6-10H2,1H3
InChIKeyXVZMGOKBPLBSIW-UHFFFAOYSA-N
XLogP3.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione?
The IUPAC name of 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione (CID 123614198) is 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione.
What is the SMILES notation for 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione?
The canonical SMILES for 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione is CC1CC2=C(CC1=O)C1C=CC(=O)CC1C1C=CC(O)CC2C1.
What is the InChIKey of 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione?
The InChIKey is XVZMGOKBPLBSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-11-6-17-13-7-12(2-3-14(21)8-13)18-9-15(22)4-5-16(18)19(17)10-20(11)23/h2-5,11-14,16,18,21H,6-10H2,1H3.
What are the key properties of 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione?
16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione has a molecular weight of 312.41 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-11-methyltetracyclo[12.4.1.02,7.08,13]nonadeca-5,8(13),17-triene-4,10-dione is sourced from PubChem (CID 123614198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).