(1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane

C12H20O — CID 10329939

IUPAC(1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane
SMILESCO[C@@H]1[C@@H]2C[C@H]3C[C@H](CC[C@@H]1C3)C2
InChIInChI=1S/C12H20O/c1-13-12-10-3-2-8-4-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3/t8-,9-,10+,11-,12-/m0/s1
InChIKeyOORFOIBWPYEOMB-SVNGYHJRSA-N
MW180.29 g/mol
LogP2.85
Rot. Bonds1

About (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane

(1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane (PubChem CID 10329939) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name(1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane
PubChem CID10329939
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane
SMILESCO[C@@H]1[C@@H]2C[C@H]3C[C@H](CC[C@@H]1C3)C2
InChIInChI=1S/C12H20O/c1-13-12-10-3-2-8-4-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3/t8-,9-,10+,11-,12-/m0/s1
InChIKeyOORFOIBWPYEOMB-SVNGYHJRSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane with MolForge

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

Launch Full Analysis

Related Compounds

(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
bicyclo[2.2.1]heptane;ethane;methoxymethane
CID 144913122
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-dimethoxyphosphane
CID 131858461
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554
4,5-dimethyltricyclo[6.2.1.13,6]dodecane
CID 59550450
2-bicyclo[2.2.1]heptanyl-dimethoxy-methylsilane
CID 54452110
N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 104584533
2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
ethane;(1R,2R,4R)-2-methylbicyclo[2.2.1]heptane
CID 159184237
bicyclo[2.2.1]heptan-2-ol;methoxy(trimethyl)silane
CID 158307954
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane?
The IUPAC name of (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane (CID 10329939) is (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane?
The canonical SMILES for (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane is CO[C@@H]1[C@@H]2C[C@H]3C[C@H](CC[C@@H]1C3)C2.
What is the InChIKey of (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane?
The InChIKey is OORFOIBWPYEOMB-SVNGYHJRSA-N. The full InChI is InChI=1S/C12H20O/c1-13-12-10-3-2-8-4-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3/t8-,9-,10+,11-,12-/m0/s1.
What are the key properties of (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane?
(1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane has a molecular weight of 180.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,6S,8S)-2-methoxytricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 10329939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).