(1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol

C8H12O2 — CID 177494876

IUPAC(1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol
SMILESOC1[C@@H]2C[C@H]3CO[C@@H](C2)[C@@H]13
InChIInChI=1S/C8H12O2/c9-8-4-1-5-3-10-6(2-4)7(5)8/h4-9H,1-3H2/t4-,5+,6+,7+,8?/m1/s1
InChIKeyIPIXHBKMORTKIR-APPYFVFBSA-N
MW140.18 g/mol
LogP0.40
Rot. Bonds

About (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol

(1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol (PubChem CID 177494876) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol.

Molecular Properties

Compound Name(1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol
PubChem CID177494876
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol
SMILESOC1[C@@H]2C[C@H]3CO[C@@H](C2)[C@@H]13
InChIInChI=1S/C8H12O2/c9-8-4-1-5-3-10-6(2-4)7(5)8/h4-9H,1-3H2/t4-,5+,6+,7+,8?/m1/s1
InChIKeyIPIXHBKMORTKIR-APPYFVFBSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol?
The IUPAC name of (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol (CID 177494876) is (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol.
What is the SMILES notation for (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol?
The canonical SMILES for (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol is OC1[C@@H]2C[C@H]3CO[C@@H](C2)[C@@H]13.
What is the InChIKey of (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol?
The InChIKey is IPIXHBKMORTKIR-APPYFVFBSA-N. The full InChI is InChI=1S/C8H12O2/c9-8-4-1-5-3-10-6(2-4)7(5)8/h4-9H,1-3H2/t4-,5+,6+,7+,8?/m1/s1.
What are the key properties of (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol?
(1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol has a molecular weight of 140.18 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-8-ol is sourced from PubChem (CID 177494876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).