10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione

C18H22O6 — CID 10065465

IUPAC10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione
SMILESCCCC1C2=C(CCC3=C(CC1CC)C(=O)OC3O)C(=O)OC2=O
InChIInChI=1S/C18H22O6/c1-3-5-10-9(4-2)8-13-11(15(19)23-17(13)21)6-7-12-14(10)18(22)24-16(12)20/h9-10,15,19H,3-8H2,1-2H3
InChIKeyWPWIOEXPUQFLTC-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.16
Rot. Bonds3

About 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione

10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione (PubChem CID 10065465) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione.

Molecular Properties

Compound Name10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione
PubChem CID10065465
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione
SMILESCCCC1C2=C(CCC3=C(CC1CC)C(=O)OC3O)C(=O)OC2=O
InChIInChI=1S/C18H22O6/c1-3-5-10-9(4-2)8-13-11(15(19)23-17(13)21)6-7-12-14(10)18(22)24-16(12)20/h9-10,15,19H,3-8H2,1-2H3
InChIKeyWPWIOEXPUQFLTC-UHFFFAOYSA-N
XLogP2.16
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione?
The IUPAC name of 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione (CID 10065465) is 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione.
What is the SMILES notation for 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione?
The canonical SMILES for 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione is CCCC1C2=C(CCC3=C(CC1CC)C(=O)OC3O)C(=O)OC2=O.
What is the InChIKey of 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione?
The InChIKey is WPWIOEXPUQFLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-3-5-10-9(4-2)8-13-11(15(19)23-17(13)21)6-7-12-14(10)18(22)24-16(12)20/h9-10,15,19H,3-8H2,1-2H3.
What are the key properties of 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione?
10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione has a molecular weight of 334.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-15-hydroxy-9-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13-trione is sourced from PubChem (CID 10065465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).