(1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

C8H12O2 — CID 22840740

IUPAC(1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESO[C@@H]1O[C@@H]2C[C@@H]3C[C@@H]1[C@H]2C3
InChIInChI=1S/C8H12O2/c9-8-6-2-4-1-5(6)7(3-4)10-8/h4-9H,1-3H2/t4-,5+,6+,7+,8+/m0/s1
InChIKeyNUWVRSQLOXLCEM-SLBCVNJHSA-N
MW140.18 g/mol
LogP0.75
Rot. Bonds

About (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol

(1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (PubChem CID 22840740) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.

Molecular Properties

Compound Name(1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
PubChem CID22840740
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
SMILESO[C@@H]1O[C@@H]2C[C@@H]3C[C@@H]1[C@H]2C3
InChIInChI=1S/C8H12O2/c9-8-6-2-4-1-5(6)7(3-4)10-8/h4-9H,1-3H2/t4-,5+,6+,7+,8+/m0/s1
InChIKeyNUWVRSQLOXLCEM-SLBCVNJHSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol with MolForge

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Related Compounds

4-Oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 15195820
2,9-Dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 90799758
(2R,9S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 126664278
1,2-Dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 130178360
(3S)-2,9-dimethyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 130311942
(1S,3R,5S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 22840736
4-Oxatricyclo[4.2.1.03,7]non-5-yl acetate
CID 58143072
(3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
CID 66837729
9-Methyl-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
CID 67963167
4-Oxatricyclo[4.2.1.03,7]nonane-2,5-diol
CID 68070219
2-Methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 68197820
2-Methoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 68272924

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The IUPAC name of (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol (CID 22840740) is (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol.
What is the SMILES notation for (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The canonical SMILES for (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is O[C@@H]1O[C@@H]2C[C@@H]3C[C@@H]1[C@H]2C3.
What is the InChIKey of (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
The InChIKey is NUWVRSQLOXLCEM-SLBCVNJHSA-N. The full InChI is InChI=1S/C8H12O2/c9-8-6-2-4-1-5(6)7(3-4)10-8/h4-9H,1-3H2/t4-,5+,6+,7+,8+/m0/s1.
What are the key properties of (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol?
(1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol has a molecular weight of 140.18 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol is sourced from PubChem (CID 22840740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).