11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol

C13H16O — CID 12823982

IUPAC11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESCC1(C)C2CC(O)C1c1ccccc12
InChIInChI=1S/C13H16O/c1-13(2)10-7-11(14)12(13)9-6-4-3-5-8(9)10/h3-6,10-12,14H,7H2,1-2H3
InChIKeyYLMODOCJXDGFKQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.66
Rot. Bonds

About 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol

11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (PubChem CID 12823982) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.

Molecular Properties

Compound Name11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
PubChem CID12823982
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol
SMILESCC1(C)C2CC(O)C1c1ccccc12
InChIInChI=1S/C13H16O/c1-13(2)10-7-11(14)12(13)9-6-4-3-5-8(9)10/h3-6,10-12,14H,7H2,1-2H3
InChIKeyYLMODOCJXDGFKQ-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The IUPAC name of 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol (CID 12823982) is 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol.
What is the SMILES notation for 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The canonical SMILES for 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is CC1(C)C2CC(O)C1c1ccccc12.
What is the InChIKey of 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
The InChIKey is YLMODOCJXDGFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-13(2)10-7-11(14)12(13)9-6-4-3-5-8(9)10/h3-6,10-12,14H,7H2,1-2H3.
What are the key properties of 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol?
11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol has a molecular weight of 188.27 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-ol is sourced from PubChem (CID 12823982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).