(1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol

C10H14O2 — CID 98541977

IUPAC(1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol
SMILESO[C@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12
InChIInChI=1S/C10H14O2/c11-7-2-4-1-6(7)9-5(4)3-8-10(9)12-8/h4-11H,1-3H2/t4-,5+,6+,7-,8+,9-,10-/m0/s1
InChIKeyHZGOREPCCSVKGA-KUVLIMKZSA-N
MW166.22 g/mol
LogP0.79
Rot. Bonds

About (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol

(1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol (PubChem CID 98541977) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol.

Molecular Properties

Compound Name(1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol
PubChem CID98541977
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol
SMILESO[C@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12
InChIInChI=1S/C10H14O2/c11-7-2-4-1-6(7)9-5(4)3-8-10(9)12-8/h4-11H,1-3H2/t4-,5+,6+,7-,8+,9-,10-/m0/s1
InChIKeyHZGOREPCCSVKGA-KUVLIMKZSA-N
XLogP0.79
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol?
The IUPAC name of (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol (CID 98541977) is (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol.
What is the SMILES notation for (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol?
The canonical SMILES for (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol is O[C@H]1C[C@@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12.
What is the InChIKey of (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol?
The InChIKey is HZGOREPCCSVKGA-KUVLIMKZSA-N. The full InChI is InChI=1S/C10H14O2/c11-7-2-4-1-6(7)9-5(4)3-8-10(9)12-8/h4-11H,1-3H2/t4-,5+,6+,7-,8+,9-,10-/m0/s1.
What are the key properties of (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol?
(1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol has a molecular weight of 166.22 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol is sourced from PubChem (CID 98541977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).