4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione

C14H16O2 — CID 85157533

IUPAC4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione
SMILESC=CCC1C(=O)C2C3CC4C(CC(=O)C42)C13
InChIInChI=1S/C14H16O2/c1-2-3-6-11-8-5-10(15)12-7(8)4-9(11)13(12)14(6)16/h2,6-9,11-13H,1,3-5H2
InChIKeyVTEDZUMASMEQND-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.85
Rot. Bonds2

About 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione

4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione (PubChem CID 85157533) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione.

Molecular Properties

Compound Name4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione
PubChem CID85157533
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione
SMILESC=CCC1C(=O)C2C3CC4C(CC(=O)C42)C13
InChIInChI=1S/C14H16O2/c1-2-3-6-11-8-5-10(15)12-7(8)4-9(11)13(12)14(6)16/h2,6-9,11-13H,1,3-5H2
InChIKeyVTEDZUMASMEQND-UHFFFAOYSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione?
The IUPAC name of 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione (CID 85157533) is 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione.
What is the SMILES notation for 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione?
The canonical SMILES for 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione is C=CCC1C(=O)C2C3CC4C(CC(=O)C42)C13.
What is the InChIKey of 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione?
The InChIKey is VTEDZUMASMEQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-3-6-11-8-5-10(15)12-7(8)4-9(11)13(12)14(6)16/h2,6-9,11-13H,1,3-5H2.
What are the key properties of 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione?
4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione has a molecular weight of 216.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyltetracyclo[6.3.0.02,6.05,9]undecane-3,11-dione is sourced from PubChem (CID 85157533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).