3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

C12H10O — CID 588214

IUPAC3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
SMILESc1cc2c3c(cccc3c1)COC2
InChIInChI=1S/C12H10O/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11/h1-6H,7-8H2
InChIKeyOMRSFKWMIDIMKJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.87
Rot. Bonds

About 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (PubChem CID 588214) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.

Molecular Properties

Compound Name3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
PubChem CID588214
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
SMILESc1cc2c3c(cccc3c1)COC2
InChIInChI=1S/C12H10O/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11/h1-6H,7-8H2
InChIKeyOMRSFKWMIDIMKJ-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene 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 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The IUPAC name of 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (CID 588214) is 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.
What is the SMILES notation for 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The canonical SMILES for 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is c1cc2c3c(cccc3c1)COC2.
What is the InChIKey of 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
The InChIKey is OMRSFKWMIDIMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-3-9-4-2-6-11-8-13-7-10(5-1)12(9)11/h1-6H,7-8H2.
What are the key properties of 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?
3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene has a molecular weight of 170.21 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is sourced from PubChem (CID 588214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).