(1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol

C8H12O2 — CID 165344237

IUPAC(1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol
SMILESO[C@@H]1[C@H]2C[C@H]3CO[C@@H]1[C@H]3C2
InChIInChI=1S/C8H12O2/c9-7-4-1-5-3-10-8(7)6(5)2-4/h4-9H,1-3H2/t4-,5-,6-,7+,8+/m0/s1
InChIKeyMWUWGUJEZSPUSM-QYYLWSOASA-N
MW140.18 g/mol
LogP0.40
Rot. Bonds

About (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol

(1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 165344237) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name(1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID165344237
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol
SMILESO[C@@H]1[C@H]2C[C@H]3CO[C@@H]1[C@H]3C2
InChIInChI=1S/C8H12O2/c9-7-4-1-5-3-10-8(7)6(5)2-4/h4-9H,1-3H2/t4-,5-,6-,7+,8+/m0/s1
InChIKeyMWUWGUJEZSPUSM-QYYLWSOASA-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 (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol (CID 165344237) is (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol is O[C@@H]1[C@H]2C[C@H]3CO[C@@H]1[C@H]3C2.
What is the InChIKey of (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is MWUWGUJEZSPUSM-QYYLWSOASA-N. The full InChI is InChI=1S/C8H12O2/c9-7-4-1-5-3-10-8(7)6(5)2-4/h4-9H,1-3H2/t4-,5-,6-,7+,8+/m0/s1.
What are the key properties of (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol?
(1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-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 (1S,2R,3R,6R,7S)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 165344237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).