(6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol

C11H18O2 — CID 139312497

IUPAC(6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol
SMILESCCC12CC3CC([C@H]31)[C@](C)(O)C2O
InChIInChI=1S/C11H18O2/c1-3-11-5-6-4-7(8(6)11)10(2,13)9(11)12/h6-9,12-13H,3-5H2,1-2H3/t6?,7?,8-,9?,10-,11?/m0/s1
InChIKeyMYQOZPJVINMWDY-VLOBIDSLSA-N
MW182.26 g/mol
LogP1.16
Rot. Bonds1

About (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol

(6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol (PubChem CID 139312497) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol.

Molecular Properties

Compound Name(6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol
PubChem CID139312497
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol
SMILESCCC12CC3CC([C@H]31)[C@](C)(O)C2O
InChIInChI=1S/C11H18O2/c1-3-11-5-6-4-7(8(6)11)10(2,13)9(11)12/h6-9,12-13H,3-5H2,1-2H3/t6?,7?,8-,9?,10-,11?/m0/s1
InChIKeyMYQOZPJVINMWDY-VLOBIDSLSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol?
The IUPAC name of (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol (CID 139312497) is (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol.
What is the SMILES notation for (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol?
The canonical SMILES for (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol is CCC12CC3CC([C@H]31)[C@](C)(O)C2O.
What is the InChIKey of (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol?
The InChIKey is MYQOZPJVINMWDY-VLOBIDSLSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11-5-6-4-7(8(6)11)10(2,13)9(11)12/h6-9,12-13H,3-5H2,1-2H3/t6?,7?,8-,9?,10-,11?/m0/s1.
What are the key properties of (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol?
(6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol has a molecular weight of 182.26 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol is sourced from PubChem (CID 139312497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).