1-methyltricyclo[5.2.1.02,6]decane-8,9-diol

C11H18O2 — CID 70126233

IUPAC1-methyltricyclo[5.2.1.02,6]decane-8,9-diol
SMILESCC12CC(C(O)C1O)C1CCCC12
InChIInChI=1S/C11H18O2/c1-11-5-7(9(12)10(11)13)6-3-2-4-8(6)11/h6-10,12-13H,2-5H2,1H3
InChIKeyLUEFNKRIPBZQNG-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.16
Rot. Bonds

About 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol

1-methyltricyclo[5.2.1.02,6]decane-8,9-diol (PubChem CID 70126233) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol.

Molecular Properties

Compound Name1-methyltricyclo[5.2.1.02,6]decane-8,9-diol
PubChem CID70126233
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-methyltricyclo[5.2.1.02,6]decane-8,9-diol
SMILESCC12CC(C(O)C1O)C1CCCC12
InChIInChI=1S/C11H18O2/c1-11-5-7(9(12)10(11)13)6-3-2-4-8(6)11/h6-10,12-13H,2-5H2,1H3
InChIKeyLUEFNKRIPBZQNG-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol?
The IUPAC name of 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol (CID 70126233) is 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol.
What is the SMILES notation for 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol?
The canonical SMILES for 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol is CC12CC(C(O)C1O)C1CCCC12.
What is the InChIKey of 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol?
The InChIKey is LUEFNKRIPBZQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11-5-7(9(12)10(11)13)6-3-2-4-8(6)11/h6-10,12-13H,2-5H2,1H3.
What are the key properties of 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol?
1-methyltricyclo[5.2.1.02,6]decane-8,9-diol has a molecular weight of 182.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltricyclo[5.2.1.02,6]decane-8,9-diol is sourced from PubChem (CID 70126233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).