5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione

C23H24O5 — CID 54580027

IUPAC5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione
SMILESCC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5cccc(O)c5OC431)C2=O
InChIInChI=1S/C23H24O5/c1-12(2)8-9-22-20(26)13-10-15-18(25)14-6-5-7-16(24)19(14)27-23(15,22)17(11-13)21(3,4)28-22/h5-8,10,13,17,24H,9,11H2,1-4H3
InChIKeyQKFZJJQOGGWRIF-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.76
Rot. Bonds2

About 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione

5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione (PubChem CID 54580027) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione.

Molecular Properties

Compound Name5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione
PubChem CID54580027
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Name5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione
SMILESCC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5cccc(O)c5OC431)C2=O
InChIInChI=1S/C23H24O5/c1-12(2)8-9-22-20(26)13-10-15-18(25)14-6-5-7-16(24)19(14)27-23(15,22)17(11-13)21(3,4)28-22/h5-8,10,13,17,24H,9,11H2,1-4H3
InChIKeyQKFZJJQOGGWRIF-UHFFFAOYSA-N
XLogP3.76
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione?
The IUPAC name of 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione (CID 54580027) is 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione.
What is the SMILES notation for 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione?
The canonical SMILES for 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione is CC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5cccc(O)c5OC431)C2=O.
What is the InChIKey of 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione?
The InChIKey is QKFZJJQOGGWRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O5/c1-12(2)8-9-22-20(26)13-10-15-18(25)14-6-5-7-16(24)19(14)27-23(15,22)17(11-13)21(3,4)28-22/h5-8,10,13,17,24H,9,11H2,1-4H3.
What are the key properties of 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione?
5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione has a molecular weight of 380.44 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4(9),5,7,11-tetraene-10,14-dione is sourced from PubChem (CID 54580027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).