3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane

C18H28O2 — CID 23113228

IUPAC3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
SMILESC=CCOC1CC2C3CC(OCC=C)(CC3C)C2C1C
InChIInChI=1S/C18H28O2/c1-5-7-19-16-9-14-15-11-18(10-12(15)3,20-8-6-2)17(14)13(16)4/h5-6,12-17H,1-2,7-11H2,3-4H3
InChIKeyWTYNJAWFEOBDFC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.83
Rot. Bonds6

About 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane

3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane (PubChem CID 23113228) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
PubChem CID23113228
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane
SMILESC=CCOC1CC2C3CC(OCC=C)(CC3C)C2C1C
InChIInChI=1S/C18H28O2/c1-5-7-19-16-9-14-15-11-18(10-12(15)3,20-8-6-2)17(14)13(16)4/h5-6,12-17H,1-2,7-11H2,3-4H3
InChIKeyWTYNJAWFEOBDFC-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane 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 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane (CID 23113228) is 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane is C=CCOC1CC2C3CC(OCC=C)(CC3C)C2C1C.
What is the InChIKey of 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
The InChIKey is WTYNJAWFEOBDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-5-7-19-16-9-14-15-11-18(10-12(15)3,20-8-6-2)17(14)13(16)4/h5-6,12-17H,1-2,7-11H2,3-4H3.
What are the key properties of 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane?
3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane has a molecular weight of 276.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1,4-bis(prop-2-enoxy)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 23113228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).