(1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol

C9H14O4 — CID 10487784

IUPAC(1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol
SMILESO[C@@H]1OC[C@H]2[C@@H]3CO[C@H](O)[C@H]3C[C@H]21
InChIInChI=1S/C9H14O4/c10-8-4-1-5-7(3-13-9(5)11)6(4)2-12-8/h4-11H,1-3H2/t4-,5+,6-,7-,8-,9+/m1/s1
InChIKeyFYGONPNMAPXJBS-IQBJDPKBSA-N
MW186.21 g/mol
LogP-0.45
Rot. Bonds

About (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol

(1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol (PubChem CID 10487784) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol.

Molecular Properties

Compound Name(1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol
PubChem CID10487784
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol
SMILESO[C@@H]1OC[C@H]2[C@@H]3CO[C@H](O)[C@H]3C[C@H]21
InChIInChI=1S/C9H14O4/c10-8-4-1-5-7(3-13-9(5)11)6(4)2-12-8/h4-11H,1-3H2/t4-,5+,6-,7-,8-,9+/m1/s1
InChIKeyFYGONPNMAPXJBS-IQBJDPKBSA-N
XLogP-0.45
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol?
The IUPAC name of (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol (CID 10487784) is (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol.
What is the SMILES notation for (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol?
The canonical SMILES for (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol is O[C@@H]1OC[C@H]2[C@@H]3CO[C@H](O)[C@H]3C[C@H]21.
What is the InChIKey of (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol?
The InChIKey is FYGONPNMAPXJBS-IQBJDPKBSA-N. The full InChI is InChI=1S/C9H14O4/c10-8-4-1-5-7(3-13-9(5)11)6(4)2-12-8/h4-11H,1-3H2/t4-,5+,6-,7-,8-,9+/m1/s1.
What are the key properties of (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol?
(1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol has a molecular weight of 186.21 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R,8S,9S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-5,9-diol is sourced from PubChem (CID 10487784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).