1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane

C19H28O3 — CID 23113253

IUPAC1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
SMILESC=CCOC1CC2C3CC(OCC=C)(CC3OCC=C)C2C1
InChIInChI=1S/C19H28O3/c1-4-7-20-14-10-15-16-12-19(17(15)11-14,22-9-6-3)13-18(16)21-8-5-2/h4-6,14-18H,1-3,7-13H2
InChIKeyAHOAKBWHYJWEOT-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.52
Rot. Bonds9

About 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane

1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane (PubChem CID 23113253) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
PubChem CID23113253
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
SMILESC=CCOC1CC2C3CC(OCC=C)(CC3OCC=C)C2C1
InChIInChI=1S/C19H28O3/c1-4-7-20-14-10-15-16-12-19(17(15)11-14,22-9-6-3)13-18(16)21-8-5-2/h4-6,14-18H,1-3,7-13H2
InChIKeyAHOAKBWHYJWEOT-UHFFFAOYSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane (CID 23113253) is 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane is C=CCOC1CC2C3CC(OCC=C)(CC3OCC=C)C2C1.
What is the InChIKey of 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
The InChIKey is AHOAKBWHYJWEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-4-7-20-14-10-15-16-12-19(17(15)11-14,22-9-6-3)13-18(16)21-8-5-2/h4-6,14-18H,1-3,7-13H2.
What are the key properties of 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane has a molecular weight of 304.43 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-tris(prop-2-enoxy)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 23113253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).