(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate

C13H20O2 — CID 137445952

IUPAC(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate
SMILESCC(=O)OC1CC2CCC23C(C)(C)C13C
InChIInChI=1S/C13H20O2/c1-8(14)15-10-7-9-5-6-13(9)11(2,3)12(10,13)4/h9-10H,5-7H2,1-4H3
InChIKeyWRTUBTFFIPLUSE-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.76
Rot. Bonds1

About (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate

(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate (PubChem CID 137445952) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate.

Molecular Properties

Compound Name(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate
PubChem CID137445952
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate
SMILESCC(=O)OC1CC2CCC23C(C)(C)C13C
InChIInChI=1S/C13H20O2/c1-8(14)15-10-7-9-5-6-13(9)11(2,3)12(10,13)4/h9-10H,5-7H2,1-4H3
InChIKeyWRTUBTFFIPLUSE-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate 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 (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate?
The IUPAC name of (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate (CID 137445952) is (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate.
What is the SMILES notation for (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate?
The canonical SMILES for (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate is CC(=O)OC1CC2CCC23C(C)(C)C13C.
What is the InChIKey of (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate?
The InChIKey is WRTUBTFFIPLUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8(14)15-10-7-9-5-6-13(9)11(2,3)12(10,13)4/h9-10H,5-7H2,1-4H3.
What are the key properties of (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate?
(2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate has a molecular weight of 208.30 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3-trimethyl-4-tricyclo[4.2.0.01,3]octanyl) acetate is sourced from PubChem (CID 137445952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).