(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane

C9H14O3 — CID 130240779

IUPAC(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane
SMILESC[C@@H]1CO[C@@H]2O[C@@H]3OCC[C@@H]3[C@@H]21
InChIInChI=1S/C9H14O3/c1-5-4-11-9-7(5)6-2-3-10-8(6)12-9/h5-9H,2-4H2,1H3/t5-,6-,7+,8+,9-/m1/s1
InChIKeyLTLDRBBSFGWWKS-XGQMLPDNSA-N
MW170.21 g/mol
LogP0.99
Rot. Bonds

About (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane

(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane (PubChem CID 130240779) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane.

Molecular Properties

Compound Name(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane
PubChem CID130240779
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane
SMILESC[C@@H]1CO[C@@H]2O[C@@H]3OCC[C@@H]3[C@@H]21
InChIInChI=1S/C9H14O3/c1-5-4-11-9-7(5)6-2-3-10-8(6)12-9/h5-9H,2-4H2,1H3/t5-,6-,7+,8+,9-/m1/s1
InChIKeyLTLDRBBSFGWWKS-XGQMLPDNSA-N
XLogP0.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]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

5,7,9-trioxatricyclo[6.3.0.02,6]undecan-3-amine
CID 123749123
(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
(2R,6S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.02,6.010,14]tetradecane
CID 139200718
(3aS,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144802403
(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768058
(3aR,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768068
3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 12794840
(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
CID 97302678
(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
CID 142011906
(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160
(3aS,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 69459334

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane?
The IUPAC name of (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane (CID 130240779) is (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane.
What is the SMILES notation for (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane?
The canonical SMILES for (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane is C[C@@H]1CO[C@@H]2O[C@@H]3OCC[C@@H]3[C@@H]21.
What is the InChIKey of (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane?
The InChIKey is LTLDRBBSFGWWKS-XGQMLPDNSA-N. The full InChI is InChI=1S/C9H14O3/c1-5-4-11-9-7(5)6-2-3-10-8(6)12-9/h5-9H,2-4H2,1H3/t5-,6-,7+,8+,9-/m1/s1.
What are the key properties of (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane?
(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane has a molecular weight of 170.21 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane is sourced from PubChem (CID 130240779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).