8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate

C14H18O2 — CID 3034476

IUPAC8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1C=CCC21
InChIInChI=1S/C14H18O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3,5,9-13H,1,4,6-7H2,2H3
InChIKeyKSJZDHASBYGXBI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.71
Rot. Bonds2

About 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate

8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate (PubChem CID 3034476) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate
PubChem CID3034476
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1C=CCC21
InChIInChI=1S/C14H18O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3,5,9-13H,1,4,6-7H2,2H3
InChIKeyKSJZDHASBYGXBI-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate 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 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate (CID 3034476) is 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC1C1C=CCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate?
The InChIKey is KSJZDHASBYGXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11/h3,5,9-13H,1,4,6-7H2,2H3.
What are the key properties of 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate?
8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate has a molecular weight of 218.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]dec-4-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 3034476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).