(1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol

C9H14O2 — CID 131155626

IUPAC(1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol
SMILESC[C@H]1[C@@H](O)[C@@H]2CC[C@H]1[C@@H]1O[C@H]21
InChIInChI=1S/C9H14O2/c1-4-5-2-3-6(7(4)10)9-8(5)11-9/h4-10H,2-3H2,1H3/t4-,5-,6+,7-,8+,9-/m1/s1
InChIKeyDYTKCLPGPWAMNQ-MSKRCNKPSA-N
MW154.21 g/mol
LogP0.79
Rot. Bonds

About (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol

(1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol (PubChem CID 131155626) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol.

Molecular Properties

Compound Name(1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol
PubChem CID131155626
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol
SMILESC[C@H]1[C@@H](O)[C@@H]2CC[C@H]1[C@@H]1O[C@H]21
InChIInChI=1S/C9H14O2/c1-4-5-2-3-6(7(4)10)9-8(5)11-9/h4-10H,2-3H2,1H3/t4-,5-,6+,7-,8+,9-/m1/s1
InChIKeyDYTKCLPGPWAMNQ-MSKRCNKPSA-N
XLogP0.79
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol with MolForge

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Related Compounds

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CID 130927438
(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
(1R,3S,4S,5S,7S,8R,9R)-8,9-dimethyl-2,6-dioxatricyclo[3.3.1.03,7]nonan-4-ol
CID 125484587
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CID 118517804
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CID 140835106
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CID 142914652
2,5-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 59072321
(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol
CID 11829468
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
(2S,4R,8S)-8-methyl-3-oxatricyclo[5.1.0.02,4]octane
CID 163528323
(1aR,2S,3S,3aS,6aR,6bS)-1a,2,3,3a,4,6,6a,6b-octahydrooxireno[2,3-g][2]benzofuran-2,3-diol
CID 25186851
6,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-3-ol
CID 70311588

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol?
The IUPAC name of (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol (CID 131155626) is (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol.
What is the SMILES notation for (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol?
The canonical SMILES for (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol is C[C@H]1[C@@H](O)[C@@H]2CC[C@H]1[C@@H]1O[C@H]21.
What is the InChIKey of (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol?
The InChIKey is DYTKCLPGPWAMNQ-MSKRCNKPSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-5-2-3-6(7(4)10)9-8(5)11-9/h4-10H,2-3H2,1H3/t4-,5-,6+,7-,8+,9-/m1/s1.
What are the key properties of (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol?
(1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol has a molecular weight of 154.21 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S,6R,7R)-7-methyl-3-oxatricyclo[3.2.2.02,4]nonan-6-ol is sourced from PubChem (CID 131155626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).