tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol

C11H12O — CID 575760

IUPACtricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESOC1CC2CC1c1ccccc12
InChIInChI=1S/C11H12O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10-12H,5-6H2
InChIKeyHWIOWHLYKDUPQA-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.02
Rot. Bonds

About tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol

tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (PubChem CID 575760) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.

Molecular Properties

Compound Nametricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
PubChem CID575760
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Nametricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESOC1CC2CC1c1ccccc12
InChIInChI=1S/C11H12O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10-12H,5-6H2
InChIKeyHWIOWHLYKDUPQA-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The IUPAC name of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (CID 575760) is tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.
What is the SMILES notation for tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The canonical SMILES for tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is OC1CC2CC1c1ccccc12.
What is the InChIKey of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The InChIKey is HWIOWHLYKDUPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10-12H,5-6H2.
What are the key properties of tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol has a molecular weight of 160.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is sourced from PubChem (CID 575760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).