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

C9H14O3 — CID 125484587

IUPAC(1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
SMILESC[C@@H]1[C@H]2O[C@H]3[C@@H](O)[C@H]1O[C@H]3[C@@H]2C
InChIInChI=1S/C9H14O3/c1-3-6-4(2)8-9(11-6)5(10)7(3)12-8/h3-10H,1-2H3/t3-,4-,5+,6-,7+,8+,9+/m1/s1
InChIKeyAJKWVJRCUCRGEY-TUIIBXMESA-N
MW170.21 g/mol
LogP0.17
Rot. Bonds

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

(1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol (PubChem CID 125484587) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol.

Molecular Properties

Compound Name(1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
PubChem CID125484587
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
SMILESC[C@@H]1[C@H]2O[C@H]3[C@@H](O)[C@H]1O[C@H]3[C@@H]2C
InChIInChI=1S/C9H14O3/c1-3-6-4(2)8-9(11-6)5(10)7(3)12-8/h3-10H,1-2H3/t3-,4-,5+,6-,7+,8+,9+/m1/s1
InChIKeyAJKWVJRCUCRGEY-TUIIBXMESA-N
XLogP0.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,3S,4S,5S,7S,8R,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,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
(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,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol?
The IUPAC name of (1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol (CID 125484587) is (1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol.
What is the SMILES notation for (1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol?
The canonical SMILES for (1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol is C[C@@H]1[C@H]2O[C@H]3[C@@H](O)[C@H]1O[C@H]3[C@@H]2C.
What is the InChIKey of (1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol?
The InChIKey is AJKWVJRCUCRGEY-TUIIBXMESA-N. The full InChI is InChI=1S/C9H14O3/c1-3-6-4(2)8-9(11-6)5(10)7(3)12-8/h3-10H,1-2H3/t3-,4-,5+,6-,7+,8+,9+/m1/s1.
What are the key properties of (1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol?
(1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol has a molecular weight of 170.21 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol is sourced from PubChem (CID 125484587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).