16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione

C18H26O3 — CID 621618

IUPAC16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione
SMILESO=C1OC(=O)C2CC3=C(CCCCCCCCCC3)CC12
InChIInChI=1S/C18H26O3/c19-17-15-11-13-9-7-5-3-1-2-4-6-8-10-14(13)12-16(15)18(20)21-17/h15-16H,1-12H2
InChIKeyVURFJACHXFANHZ-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.31
Rot. Bonds

About 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione

16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione (PubChem CID 621618) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione.

Molecular Properties

Compound Name16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione
PubChem CID621618
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione
SMILESO=C1OC(=O)C2CC3=C(CCCCCCCCCC3)CC12
InChIInChI=1S/C18H26O3/c19-17-15-11-13-9-7-5-3-1-2-4-6-8-10-14(13)12-16(15)18(20)21-17/h15-16H,1-12H2
InChIKeyVURFJACHXFANHZ-UHFFFAOYSA-N
XLogP4.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione with MolForge

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

Launch Full Analysis

Related Compounds

2,5-Furandione, dihydro-3-(tetrapropenyl)-
CID 6438029
4,5-Dimethyl-4-cyclohexene-1,2-dicarboxylic anhydride
CID 226297
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-(4-methyl-3-penten-1-yl)-
CID 122486
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-buten-1-yl)-
CID 85572
4-(4,8-Dimethyl-3,7-nonadienyl) cyclohex-4-ene-1,2-dioic anhydride
CID 53709990
3,4-Dimethyl-6-(2-methyl-1-propenyl)-4-cyclohexene-1,2-dicarboxylic anhydride
CID 4075215
5-((E)-4,8-Dimethyl-nona-3,7-dienyl)-3a,4,7,7a-tetrahydro-isobenzofuran-1,3-dione
CID 13137195
5-Methyl-7,7a-dihydroisobenzofuran-1,3(3aH,6H)-dione
CID 13608902
5-(4,8,12-Trimethyl-tridecyl)-3a,4,7,7a-tetrahydro-isobenzofuran-1,3-dione
CID 10362198
2,5-Furandione, 3-(cyclohexenyl)dihydro-
CID 230420
Cis-1,2-dimethylcyclohexene-4,5-dicarboxylic anhydride
CID 12239094
3a,3b,4,5,6,7,8,9,10,11,11a,11b-Dodecahydrophenanthro[9,10-c]furan-1,3-dione
CID 316264

Frequently Asked Questions

What is the IUPAC name of 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione?
The IUPAC name of 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione (CID 621618) is 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione.
What is the SMILES notation for 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione?
The canonical SMILES for 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione is O=C1OC(=O)C2CC3=C(CCCCCCCCCC3)CC12.
What is the InChIKey of 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione?
The InChIKey is VURFJACHXFANHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c19-17-15-11-13-9-7-5-3-1-2-4-6-8-10-14(13)12-16(15)18(20)21-17/h15-16H,1-12H2.
What are the key properties of 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione?
16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione has a molecular weight of 290.40 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-oxatricyclo[10.7.0.014,18]nonadec-1(12)-ene-15,17-dione is sourced from PubChem (CID 621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).