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

C7H10O — CID 11094562

IUPAC(1S,5R)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1C[C@H]2C[C@@H]1C1OC12
InChIInChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4-,5+,6?,7?
InChIKeyOHNNZOOGWXZCPZ-DPTVFECHSA-N
MW110.16 g/mol
LogP1.18
Rot. Bonds

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

(1S,5R)-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 11094562) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (1S,5R)-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name(1S,5R)-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID11094562
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(1S,5R)-3-oxatricyclo[3.2.1.02,4]octane
SMILESC1C[C@H]2C[C@@H]1C1OC12
InChIInChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4-,5+,6?,7?
InChIKeyOHNNZOOGWXZCPZ-DPTVFECHSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of (1S,5R)-3-oxatricyclo[3.2.1.02,4]octane (CID 11094562) is (1S,5R)-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for (1S,5R)-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for (1S,5R)-3-oxatricyclo[3.2.1.02,4]octane is C1C[C@H]2C[C@@H]1C1OC12.
What is the InChIKey of (1S,5R)-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is OHNNZOOGWXZCPZ-DPTVFECHSA-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?.
What are the key properties of (1S,5R)-3-oxatricyclo[3.2.1.02,4]octane?
(1S,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 (1S,5R)-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 11094562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).