2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid

C15H20O4 — CID 69449856

IUPAC2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid
SMILESC=C(C)C(=O)OC12CCCC1C1CCC2(C(=O)O)C1
InChIInChI=1S/C15H20O4/c1-9(2)12(16)19-15-6-3-4-11(15)10-5-7-14(15,8-10)13(17)18/h10-11H,1,3-8H2,2H3,(H,17,18)
InChIKeyONEXXAXELJMHDX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.53
Rot. Bonds3

About 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid

2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid (PubChem CID 69449856) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid
PubChem CID69449856
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid
SMILESC=C(C)C(=O)OC12CCCC1C1CCC2(C(=O)O)C1
InChIInChI=1S/C15H20O4/c1-9(2)12(16)19-15-6-3-4-11(15)10-5-7-14(15,8-10)13(17)18/h10-11H,1,3-8H2,2H3,(H,17,18)
InChIKeyONEXXAXELJMHDX-UHFFFAOYSA-N
XLogP2.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid (CID 69449856) is 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid is C=C(C)C(=O)OC12CCCC1C1CCC2(C(=O)O)C1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid?
The InChIKey is ONEXXAXELJMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(2)12(16)19-15-6-3-4-11(15)10-5-7-14(15,8-10)13(17)18/h10-11H,1,3-8H2,2H3,(H,17,18).
What are the key properties of 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid?
2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)tricyclo[5.2.1.02,6]decane-1-carboxylic acid is sourced from PubChem (CID 69449856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).