(Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid

C14H16O4 — CID 67893600

IUPAC(Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid
SMILESO=C(O)/C=C(\C(=O)O)C1CC2CC1C1C=CCC21
InChIInChI=1S/C14H16O4/c15-13(16)6-12(14(17)18)11-5-7-4-10(11)9-3-1-2-8(7)9/h1,3,6-11H,2,4-5H2,(H,15,16)(H,17,18)/b12-6-
InChIKeyFTKYFZDTHJNKKW-SDQBBNPISA-N
MW248.28 g/mol
LogP1.93
Rot. Bonds3

About (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid

(Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid (PubChem CID 67893600) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid
PubChem CID67893600
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid
SMILESO=C(O)/C=C(\C(=O)O)C1CC2CC1C1C=CCC21
InChIInChI=1S/C14H16O4/c15-13(16)6-12(14(17)18)11-5-7-4-10(11)9-3-1-2-8(7)9/h1,3,6-11H,2,4-5H2,(H,15,16)(H,17,18)/b12-6-
InChIKeyFTKYFZDTHJNKKW-SDQBBNPISA-N
XLogP1.93
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
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 (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 45359512
CID 45359512
CID 46937034
CID 46937034
CID 6480210
CID 6480210
CID 27468962
CID 27468962
CID 156011538
CID 156011538
CID 296887
CID 296887
CID 10988200
CID 10988200
CID 3013542
CID 3013542
CID 156580469
CID 156580469
CID 156580531
CID 156580531
CID 163185071
CID 163185071
CID 163190948
CID 163190948

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid?
The IUPAC name of (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid (CID 67893600) is (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid.
What is the SMILES notation for (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid?
The canonical SMILES for (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid is O=C(O)/C=C(\C(=O)O)C1CC2CC1C1C=CCC21.
What is the InChIKey of (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid?
The InChIKey is FTKYFZDTHJNKKW-SDQBBNPISA-N. The full InChI is InChI=1S/C14H16O4/c15-13(16)6-12(14(17)18)11-5-7-4-10(11)9-3-1-2-8(7)9/h1,3,6-11H,2,4-5H2,(H,15,16)(H,17,18)/b12-6-.
What are the key properties of (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid?
(Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid has a molecular weight of 248.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(8-tricyclo[5.2.1.02,6]dec-4-enyl)but-2-enedioic acid is sourced from PubChem (CID 67893600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).