4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol

C9H10O2 — CID 21284031

IUPAC4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol
SMILESOC1OCC2C1=C1C=CC2C1
InChIInChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5,7,9-10H,3-4H2
InChIKeyZYCYSZHSHMQQEF-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.84
Rot. Bonds

About 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol

4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol (PubChem CID 21284031) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol.

Molecular Properties

Compound Name4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol
PubChem CID21284031
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol
SMILESOC1OCC2C1=C1C=CC2C1
InChIInChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5,7,9-10H,3-4H2
InChIKeyZYCYSZHSHMQQEF-UHFFFAOYSA-N
XLogP0.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol?
The IUPAC name of 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol (CID 21284031) is 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol.
What is the SMILES notation for 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol?
The canonical SMILES for 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol is OC1OCC2C1=C1C=CC2C1.
What is the InChIKey of 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol?
The InChIKey is ZYCYSZHSHMQQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5,7,9-10H,3-4H2.
What are the key properties of 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol?
4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol has a molecular weight of 150.18 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[5.2.1.02,6]deca-1,8-dien-3-ol is sourced from PubChem (CID 21284031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).