(1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol

C18H28O6 — CID 159595589

IUPAC(1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
SMILESC[C@@H]1[C@@H]2OC3[C@@H](O)[C@H]1O[C@@H]3[C@H]2C.C[C@@H]1[C@@H]2O[C@H]3[C@H](O)[C@H](O[C@@H]13)[C@H]2C
InChIInChI=1S/2C9H14O3/c2*1-3-6-4(2)8-9(11-6)5(10)7(3)12-8/h2*3-10H,1-2H3/t3-,4+,5+,6+,7+,8-,9?;3-,4+,5+,6+,7+,8-,9-/m10/s1
InChIKeyMKUJDGGNKXCXHA-RPRQQFKYSA-N
MW340.42 g/mol
LogP0.34
Rot. Bonds

About (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol

(1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol (PubChem CID 159595589) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol.

Molecular Properties

Compound Name(1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
PubChem CID159595589
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name(1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
SMILESC[C@@H]1[C@@H]2OC3[C@@H](O)[C@H]1O[C@@H]3[C@H]2C.C[C@@H]1[C@@H]2O[C@H]3[C@H](O)[C@H](O[C@@H]13)[C@H]2C
InChIInChI=1S/2C9H14O3/c2*1-3-6-4(2)8-9(11-6)5(10)7(3)12-8/h2*3-10H,1-2H3/t3-,4+,5+,6+,7+,8-,9?;3-,4+,5+,6+,7+,8-,9-/m10/s1
InChIKeyMKUJDGGNKXCXHA-RPRQQFKYSA-N
XLogP0.34
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol with MolForge

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Related Compounds

(1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
CID 125484587
(3S,7S)-2,6-dioxatricyclo[3.3.0.03,7]octane-4,8-diol
CID 140835106
(1R,2R,4S,5S,7S,9R)-3,6,10-trioxatetracyclo[7.1.0.02,4.05,7]decan-8-ol
CID 12528736
(1S,3R,5S,6S,8R,9S,10R)-9,10-dimethyl-2,4,7-trioxatricyclo[4.3.1.03,8]decan-5-ol
CID 130361222
(1S,2R,4R,5R,6R)-2,4-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 118517804
(1S,3S,7R,9S)-8-methyl-5,11-bis(thiolan-2-yl)-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 131974497
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
(1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol
CID 131155626
disodium;(1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;2-[[(1S,3R,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-yl]oxycarbonyl]benzoate;tris(2-[[(1R,3S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-yl]oxycarbonyl]benzoate);bis([(1R)-1-phenylethyl]azanium);bis([(1S)-1-phenylethyl]azanium);dihydroxide
CID 157121646
2-methoxy-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 14212572
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(1S,2S,3R,4S,5R,6S)-5-methoxy-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 130831191

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol?
The IUPAC name of (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol (CID 159595589) is (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol.
What is the SMILES notation for (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol?
The canonical SMILES for (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol is C[C@@H]1[C@@H]2OC3[C@@H](O)[C@H]1O[C@@H]3[C@H]2C.C[C@@H]1[C@@H]2O[C@H]3[C@H](O)[C@H](O[C@@H]13)[C@H]2C.
What is the InChIKey of (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol?
The InChIKey is MKUJDGGNKXCXHA-RPRQQFKYSA-N. The full InChI is InChI=1S/2C9H14O3/c2*1-3-6-4(2)8-9(11-6)5(10)7(3)12-8/h2*3-10H,1-2H3/t3-,4+,5+,6+,7+,8-,9?;3-,4+,5+,6+,7+,8-,9-/m10/s1.
What are the key properties of (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol?
(1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol has a molecular weight of 340.42 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,5R,7S,8R,9S)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol;(1S,4S,5S,7R,8S,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol is sourced from PubChem (CID 159595589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).