(1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol

C10H16O4 — CID 177442847

IUPAC(1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol
SMILESCO[C@H]1C[C@]2(C)O[C@]3(C)[C@H](O[C@@H]13)[C@H]2O
InChIInChI=1S/C10H16O4/c1-9-4-5(12-3)7-10(2,14-9)8(13-7)6(9)11/h5-8,11H,4H2,1-3H3/t5-,6+,7-,8+,9-,10-/m0/s1
InChIKeyIGJBMVPAZZXWNW-UFMRAMJRSA-N
MW200.23 g/mol
LogP0.08
Rot. Bonds1

About (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol

(1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol (PubChem CID 177442847) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol.

Molecular Properties

Compound Name(1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol
PubChem CID177442847
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol
SMILESCO[C@H]1C[C@]2(C)O[C@]3(C)[C@H](O[C@@H]13)[C@H]2O
InChIInChI=1S/C10H16O4/c1-9-4-5(12-3)7-10(2,14-9)8(13-7)6(9)11/h5-8,11H,4H2,1-3H3/t5-,6+,7-,8+,9-,10-/m0/s1
InChIKeyIGJBMVPAZZXWNW-UFMRAMJRSA-N
XLogP0.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol with MolForge

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Related Compounds

[(1R,3S,4S,6S,8S,9S)-9-hydroxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl] 2,2-dimethylpropanoate
CID 25093125
1,5,5,7-tetramethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-ol
CID 15051539
3-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-6-ol
CID 91083882
3,4-dimethoxy-1,1-dimethylcyclopentane
CID 58806283
(4R)-4-methoxy-2,2-dimethyloxane
CID 170120982
(1S,5R,6S,7R)-3-ethyl-3-methoxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octane-6,7-diol
CID 118319617
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
(3R,3aR,6R,6aR)-6-methoxy-6a-methyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3-ol
CID 145113499
(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147
(4R)-4-methoxy-2,2-dimethyloxolane
CID 118600677
(1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol
CID 130991446
1,3-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
CID 130152486

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol?
The IUPAC name of (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol (CID 177442847) is (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol.
What is the SMILES notation for (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol?
The canonical SMILES for (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol is CO[C@H]1C[C@]2(C)O[C@]3(C)[C@H](O[C@@H]13)[C@H]2O.
What is the InChIKey of (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol?
The InChIKey is IGJBMVPAZZXWNW-UFMRAMJRSA-N. The full InChI is InChI=1S/C10H16O4/c1-9-4-5(12-3)7-10(2,14-9)8(13-7)6(9)11/h5-8,11H,4H2,1-3H3/t5-,6+,7-,8+,9-,10-/m0/s1.
What are the key properties of (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol?
(1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol has a molecular weight of 200.23 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,6S,8R,9R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-ol is sourced from PubChem (CID 177442847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).