(8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one

C20H28O3 — CID 6444282

IUPAC(8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one
SMILESCCC1OC(=O)CCC/C=C\C/C=C/C/C=C/C2C1CC1OC12
InChIInChI=1S/C20H28O3/c1-2-17-16-14-18-20(23-18)15(16)12-10-8-6-4-3-5-7-9-11-13-19(21)22-17/h4-7,10,12,15-18,20H,2-3,8-9,11,13-14H2,1H3/b6-4+,7-5-,12-10+
InChIKeyLWCPMCAZCAZIDQ-JMSCLRKOSA-N
MW316.44 g/mol
LogP4.34
Rot. Bonds1

About (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one

(8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one (PubChem CID 6444282) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one.

Molecular Properties

Compound Name(8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one
PubChem CID6444282
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name(8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one
SMILESCCC1OC(=O)CCC/C=C\C/C=C/C/C=C/C2C1CC1OC12
InChIInChI=1S/C20H28O3/c1-2-17-16-14-18-20(23-18)15(16)12-10-8-6-4-3-5-7-9-11-13-19(21)22-17/h4-7,10,12,15-18,20H,2-3,8-9,11,13-14H2,1H3/b6-4+,7-5-,12-10+
InChIKeyLWCPMCAZCAZIDQ-JMSCLRKOSA-N
XLogP4.34
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one 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 (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one?
The IUPAC name of (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one (CID 6444282) is (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one.
What is the SMILES notation for (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one?
The canonical SMILES for (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one is CCC1OC(=O)CCC/C=C\C/C=C/C/C=C/C2C1CC1OC12.
What is the InChIKey of (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one?
The InChIKey is LWCPMCAZCAZIDQ-JMSCLRKOSA-N. The full InChI is InChI=1S/C20H28O3/c1-2-17-16-14-18-20(23-18)15(16)12-10-8-6-4-3-5-7-9-11-13-19(21)22-17/h4-7,10,12,15-18,20H,2-3,8-9,11,13-14H2,1H3/b6-4+,7-5-,12-10+.
What are the key properties of (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one?
(8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one has a molecular weight of 316.44 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,11E,14E)-2-ethyl-3,18-dioxatricyclo[14.4.0.017,19]icosa-8,11,14-trien-4-one is sourced from PubChem (CID 6444282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).