tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol

C12H14O — CID 582616

IUPACtricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol
SMILESOC1CC2CCC1c1ccccc12
InChIInChI=1S/C12H14O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,8,11-13H,5-7H2
InChIKeyILPNNYVOVSPQCS-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.41
Rot. Bonds

About tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol

tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol (PubChem CID 582616) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol.

Molecular Properties

Compound Nametricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol
PubChem CID582616
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Nametricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol
SMILESOC1CC2CCC1c1ccccc12
InChIInChI=1S/C12H14O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,8,11-13H,5-7H2
InChIKeyILPNNYVOVSPQCS-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol?
The IUPAC name of tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol (CID 582616) is tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol.
What is the SMILES notation for tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol?
The canonical SMILES for tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol is OC1CC2CCC1c1ccccc12.
What is the InChIKey of tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol?
The InChIKey is ILPNNYVOVSPQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-12-7-8-5-6-11(12)10-4-2-1-3-9(8)10/h1-4,8,11-13H,5-7H2.
What are the key properties of tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol?
tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol has a molecular weight of 174.24 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-ol is sourced from PubChem (CID 582616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).