(1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol

C12H18O2 — CID 98555342

IUPAC(1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol
SMILESO[C@@H]1C[C@]23CCCC[C@]24C[C@@H]1O[C@H]4C3
InChIInChI=1S/C12H18O2/c13-8-5-11-3-1-2-4-12(11)6-9(8)14-10(12)7-11/h8-10,13H,1-7H2/t8-,9+,10+,11+,12-/m1/s1
InChIKeyXLYVOHFFYUQWDE-WTPMCQDGSA-N
MW194.27 g/mol
LogP1.86
Rot. Bonds

About (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol

(1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol (PubChem CID 98555342) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol.

Molecular Properties

Compound Name(1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol
PubChem CID98555342
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol
SMILESO[C@@H]1C[C@]23CCCC[C@]24C[C@@H]1O[C@H]4C3
InChIInChI=1S/C12H18O2/c13-8-5-11-3-1-2-4-12(11)6-9(8)14-10(12)7-11/h8-10,13H,1-7H2/t8-,9+,10+,11+,12-/m1/s1
InChIKeyXLYVOHFFYUQWDE-WTPMCQDGSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol?
The IUPAC name of (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol (CID 98555342) is (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol.
What is the SMILES notation for (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol?
The canonical SMILES for (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol is O[C@@H]1C[C@]23CCCC[C@]24C[C@@H]1O[C@H]4C3.
What is the InChIKey of (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol?
The InChIKey is XLYVOHFFYUQWDE-WTPMCQDGSA-N. The full InChI is InChI=1S/C12H18O2/c13-8-5-11-3-1-2-4-12(11)6-9(8)14-10(12)7-11/h8-10,13H,1-7H2/t8-,9+,10+,11+,12-/m1/s1.
What are the key properties of (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol?
(1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol has a molecular weight of 194.27 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8S,10S,13R)-9-oxatetracyclo[6.3.2.01,6.06,10]tridecan-13-ol is sourced from PubChem (CID 98555342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).