11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate

C14H20O2 — CID 89290617

IUPAC11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
SMILESC=CC(=O)OC1C2CCC1C1CCCCC12
InChIInChI=1S/C14H20O2/c1-2-13(15)16-14-11-7-8-12(14)10-6-4-3-5-9(10)11/h2,9-12,14H,1,3-8H2
InChIKeyKGDMZDSWIQKUCQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.93
Rot. Bonds2

About 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate

11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate (PubChem CID 89290617) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate.

Molecular Properties

Compound Name11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
PubChem CID89290617
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
SMILESC=CC(=O)OC1C2CCC1C1CCCCC12
InChIInChI=1S/C14H20O2/c1-2-13(15)16-14-11-7-8-12(14)10-6-4-3-5-9(10)11/h2,9-12,14H,1,3-8H2
InChIKeyKGDMZDSWIQKUCQ-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-tricyclo[6.2.1.02,7]undecanyl prop-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 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate?
The IUPAC name of 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate (CID 89290617) is 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate.
What is the SMILES notation for 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate?
The canonical SMILES for 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate is C=CC(=O)OC1C2CCC1C1CCCCC12.
What is the InChIKey of 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate?
The InChIKey is KGDMZDSWIQKUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-13(15)16-14-11-7-8-12(14)10-6-4-3-5-9(10)11/h2,9-12,14H,1,3-8H2.
What are the key properties of 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate?
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate has a molecular weight of 220.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate is sourced from PubChem (CID 89290617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).