(3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol

C8H12O3 — CID 66837729

IUPAC(3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
SMILESOC1O[C@H]2C(O)C3CC1C2C3
InChIInChI=1S/C8H12O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-10H,1-2H2/t3?,4?,5?,6?,7-,8?/m1/s1
InChIKeyHSAXTTOQHYKZTQ-RRQYHCINSA-N
MW156.18 g/mol
LogP-0.28
Rot. Bonds

About (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol

(3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol (PubChem CID 66837729) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol.

Molecular Properties

Compound Name(3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
PubChem CID66837729
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol
SMILESOC1O[C@H]2C(O)C3CC1C2C3
InChIInChI=1S/C8H12O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-10H,1-2H2/t3?,4?,5?,6?,7-,8?/m1/s1
InChIKeyHSAXTTOQHYKZTQ-RRQYHCINSA-N
XLogP-0.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol?
The IUPAC name of (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol (CID 66837729) is (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol.
What is the SMILES notation for (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol?
The canonical SMILES for (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol is OC1O[C@H]2C(O)C3CC1C2C3.
What is the InChIKey of (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol?
The InChIKey is HSAXTTOQHYKZTQ-RRQYHCINSA-N. The full InChI is InChI=1S/C8H12O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-10H,1-2H2/t3?,4?,5?,6?,7-,8?/m1/s1.
What are the key properties of (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol?
(3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol has a molecular weight of 156.18 g/mol, XLogP of -0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-oxatricyclo[4.2.1.03,7]nonane-2,5-diol is sourced from PubChem (CID 66837729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).