(1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

C10H16O2 — CID 100982263

IUPAC(1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESO[C@]12CC[C@H]3CCC[C@@]3(CC1)O2
InChIInChI=1S/C10H16O2/c11-10-5-3-8-2-1-4-9(8,12-10)6-7-10/h8,11H,1-7H2/t8-,9+,10+/m1/s1
InChIKeyJXBSNXIEJYVSBN-UTLUCORTSA-N
MW168.24 g/mol
LogP1.82
Rot. Bonds

About (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol

(1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol (PubChem CID 100982263) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.

Molecular Properties

Compound Name(1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
PubChem CID100982263
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
SMILESO[C@]12CC[C@H]3CCC[C@@]3(CC1)O2
InChIInChI=1S/C10H16O2/c11-10-5-3-8-2-1-4-9(8,12-10)6-7-10/h8,11H,1-7H2/t8-,9+,10+/m1/s1
InChIKeyJXBSNXIEJYVSBN-UTLUCORTSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The IUPAC name of (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol (CID 100982263) is (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol.
What is the SMILES notation for (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The canonical SMILES for (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is O[C@]12CC[C@H]3CCC[C@@]3(CC1)O2.
What is the InChIKey of (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
The InChIKey is JXBSNXIEJYVSBN-UTLUCORTSA-N. The full InChI is InChI=1S/C10H16O2/c11-10-5-3-8-2-1-4-9(8,12-10)6-7-10/h8,11H,1-7H2/t8-,9+,10+/m1/s1.
What are the key properties of (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol?
(1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol has a molecular weight of 168.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,8S)-11-oxatricyclo[6.2.1.01,5]undecan-8-ol is sourced from PubChem (CID 100982263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).