2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid

C10H12O2 — CID 74040120

IUPAC2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
SMILESCC12C3C=CC(C3)C1C2C(=O)O
InChIInChI=1S/C10H12O2/c1-10-6-3-2-5(4-6)7(10)8(10)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)
InChIKeyYUURKUHOVOLQAU-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.53
Rot. Bonds1

About 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid

2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid (PubChem CID 74040120) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid.

Molecular Properties

Compound Name2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
PubChem CID74040120
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
SMILESCC12C3C=CC(C3)C1C2C(=O)O
InChIInChI=1S/C10H12O2/c1-10-6-3-2-5(4-6)7(10)8(10)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)
InChIKeyYUURKUHOVOLQAU-UHFFFAOYSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The IUPAC name of 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid (CID 74040120) is 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid.
What is the SMILES notation for 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The canonical SMILES for 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid is CC12C3C=CC(C3)C1C2C(=O)O.
What is the InChIKey of 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
The InChIKey is YUURKUHOVOLQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10-6-3-2-5(4-6)7(10)8(10)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12).
What are the key properties of 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid?
2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid has a molecular weight of 164.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid is sourced from PubChem (CID 74040120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).