(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane

C7H10O — CID 98043746

IUPAC(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1C[C@@H]2C[C@@H]1[C@H]1O[C@H]21
InChIInChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKeyOHNNZOOGWXZCPZ-DBRKOABJSA-N
MW110.16 g/mol
LogP1.18
Rot. Bonds

About (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane

(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 98043746) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID98043746
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1C[C@@H]2C[C@@H]1[C@H]1O[C@H]21
InChIInChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1
InChIKeyOHNNZOOGWXZCPZ-DBRKOABJSA-N
XLogP1.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane with MolForge

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Related Compounds

3-oxatricyclo[3.3.1.02,4]nonane
CID 87443945
(4S,6R)-5-oxaheptacyclo[7.6.1.13,7.111,14.02,8.04,6.010,15]octadecane
CID 59904064
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2S,3R)-2,3-dicyclohexyloxirane
CID 169013366
4-methyl-3-oxatricyclo[5.2.1.02,6]decane
CID 58944167
(1S,2R,6S,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
CID 12513637
methyl 2-methylbutanoate;3-oxatricyclo[3.2.1.02,4]octane
CID 90693172
(2S,4R)-3-oxatricyclo[3.3.1.02,4]nonane-7-carbonitrile
CID 138551448
7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane
CID 154978917
ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane
CID 177226765
6-(7-oxabicyclo[4.1.0]heptan-3-yl)-3-oxatricyclo[3.2.1.02,4]octane
CID 59281682

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane (CID 98043746) is (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane is C1C[C@@H]2C[C@@H]1[C@H]1O[C@H]21.
What is the InChIKey of (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is OHNNZOOGWXZCPZ-DBRKOABJSA-N. The full InChI is InChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1.
What are the key properties of (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane?
(1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 110.16 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5R)-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 98043746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).