8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol

C11H12O2 — CID 163321412

IUPAC8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol
SMILESOCC12CC(C1)Oc1ccccc12
InChIInChI=1S/C11H12O2/c12-7-11-5-8(6-11)13-10-4-2-1-3-9(10)11/h1-4,8,12H,5-7H2
InChIKeyJVTBZWZKUDMXHP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.47
Rot. Bonds1

About 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol

8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol (PubChem CID 163321412) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol.

Molecular Properties

Compound Name8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol
PubChem CID163321412
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol
SMILESOCC12CC(C1)Oc1ccccc12
InChIInChI=1S/C11H12O2/c12-7-11-5-8(6-11)13-10-4-2-1-3-9(10)11/h1-4,8,12H,5-7H2
InChIKeyJVTBZWZKUDMXHP-UHFFFAOYSA-N
XLogP1.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol?
The IUPAC name of 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol (CID 163321412) is 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol.
What is the SMILES notation for 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol?
The canonical SMILES for 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol is OCC12CC(C1)Oc1ccccc12.
What is the InChIKey of 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol?
The InChIKey is JVTBZWZKUDMXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-7-11-5-8(6-11)13-10-4-2-1-3-9(10)11/h1-4,8,12H,5-7H2.
What are the key properties of 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol?
8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol has a molecular weight of 176.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatricyclo[7.1.1.02,7]undeca-2,4,6-trien-1-ylmethanol is sourced from PubChem (CID 163321412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).