(3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol

C10H16O2 — CID 10820999

IUPAC(3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol
SMILESO[C@@H]1OC2[C@@H]3CCC[C@H]2CC1C3
InChIInChI=1S/C10H16O2/c11-10-8-4-6-2-1-3-7(5-8)9(6)12-10/h6-11H,1-5H2/t6-,7+,8?,9?,10-/m1/s1
InChIKeyUPHZEMZCXIEZDM-DJAYFPKFSA-N
MW168.24 g/mol
LogP1.53
Rot. Bonds

About (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol

(3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol (PubChem CID 10820999) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol.

Molecular Properties

Compound Name(3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol
PubChem CID10820999
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol
SMILESO[C@@H]1OC2[C@@H]3CCC[C@H]2CC1C3
InChIInChI=1S/C10H16O2/c11-10-8-4-6-2-1-3-7(5-8)9(6)12-10/h6-11H,1-5H2/t6-,7+,8?,9?,10-/m1/s1
InChIKeyUPHZEMZCXIEZDM-DJAYFPKFSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol?
The IUPAC name of (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol (CID 10820999) is (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol.
What is the SMILES notation for (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol?
The canonical SMILES for (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol is O[C@@H]1OC2[C@@H]3CCC[C@H]2CC1C3.
What is the InChIKey of (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol?
The InChIKey is UPHZEMZCXIEZDM-DJAYFPKFSA-N. The full InChI is InChI=1S/C10H16O2/c11-10-8-4-6-2-1-3-7(5-8)9(6)12-10/h6-11H,1-5H2/t6-,7+,8?,9?,10-/m1/s1.
What are the key properties of (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol?
(3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol has a molecular weight of 168.24 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S,10R)-9-oxatricyclo[5.3.1.03,8]undecan-10-ol is sourced from PubChem (CID 10820999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).