(8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione

C18H25NO5 — CID 6428016

IUPAC(8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione
SMILESC/C=C1/CC(C)[C@@](C)(O)C(=O)OCC2=CCN3CC(CC23)OC1=O
InChIInChI=1S/C18H25NO5/c1-4-12-7-11(2)18(3,22)17(21)23-10-13-5-6-19-9-14(8-15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11?,14?,15?,18-/m1/s1
InChIKeyADUQTSRXEIUVAA-RCOJIHRISA-N
MW335.40 g/mol
LogP1.19
Rot. Bonds

About (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione

(8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione (PubChem CID 6428016) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione.

Molecular Properties

Compound Name(8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione
PubChem CID6428016
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name(8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione
SMILESC/C=C1/CC(C)[C@@](C)(O)C(=O)OCC2=CCN3CC(CC23)OC1=O
InChIInChI=1S/C18H25NO5/c1-4-12-7-11(2)18(3,22)17(21)23-10-13-5-6-19-9-14(8-15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11?,14?,15?,18-/m1/s1
InChIKeyADUQTSRXEIUVAA-RCOJIHRISA-N
XLogP1.19
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione 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 (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione?
The IUPAC name of (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione (CID 6428016) is (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione.
What is the SMILES notation for (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione?
The canonical SMILES for (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione is C/C=C1/CC(C)[C@@](C)(O)C(=O)OCC2=CCN3CC(CC23)OC1=O.
What is the InChIKey of (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione?
The InChIKey is ADUQTSRXEIUVAA-RCOJIHRISA-N. The full InChI is InChI=1S/C18H25NO5/c1-4-12-7-11(2)18(3,22)17(21)23-10-13-5-6-19-9-14(8-15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11?,14?,15?,18-/m1/s1.
What are the key properties of (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione?
(8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione has a molecular weight of 335.40 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,11Z)-11-ethylidene-8-hydroxy-8,9-dimethyl-6,13-dioxa-1-azatricyclo[12.2.1.04,16]heptadec-3-ene-7,12-dione is sourced from PubChem (CID 6428016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).