ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate

C17H27NO6 — CID 156841549

IUPACethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate
SMILESCC.CCCCC(=O)OC1C(OC)C2OC1C1C(=O)N(C)C(=O)C21
InChIInChI=1S/C15H21NO6.C2H6/c1-4-5-6-7(17)21-13-11-9-8(10(22-11)12(13)20-3)14(18)16(2)15(9)19;1-2/h8-13H,4-6H2,1-3H3;1-2H3
InChIKeyYSRWIRSUIGQGOJ-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.14
Rot. Bonds5

About ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate

ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate (PubChem CID 156841549) has the molecular formula C17H27NO6 and a molecular weight of 341.40 g/mol. Its IUPAC name is ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate.

Molecular Properties

Compound Nameethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate
PubChem CID156841549
Molecular FormulaC17H27NO6
Molecular Weight341.40 g/mol
Exact Mass341.18
IUPAC Nameethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate
SMILESCC.CCCCC(=O)OC1C(OC)C2OC1C1C(=O)N(C)C(=O)C21
InChIInChI=1S/C15H21NO6.C2H6/c1-4-5-6-7(17)21-13-11-9-8(10(22-11)12(13)20-3)14(18)16(2)15(9)19;1-2/h8-13H,4-6H2,1-3H3;1-2H3
InChIKeyYSRWIRSUIGQGOJ-UHFFFAOYSA-N
XLogP1.14
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate?
The IUPAC name of ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate (CID 156841549) is ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate.
What is the SMILES notation for ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate?
The canonical SMILES for ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate is CC.CCCCC(=O)OC1C(OC)C2OC1C1C(=O)N(C)C(=O)C21.
What is the InChIKey of ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate?
The InChIKey is YSRWIRSUIGQGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6.C2H6/c1-4-5-6-7(17)21-13-11-9-8(10(22-11)12(13)20-3)14(18)16(2)15(9)19;1-2/h8-13H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate?
ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate has a molecular weight of 341.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6-methoxy-2-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-5-yl) pentanoate is sourced from PubChem (CID 156841549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).