(1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one

C11H16O2 — CID 134860947

IUPAC(1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one
SMILESO=C1CC[C@@]23CCC[C@@H]2CC[C@@]13O
InChIInChI=1S/C11H16O2/c12-9-4-6-10-5-1-2-8(10)3-7-11(9,10)13/h8,13H,1-7H2/t8-,10+,11-/m1/s1
InChIKeyNZZPMVFWQCOEMK-DVVUODLYSA-N
MW180.25 g/mol
LogP1.66
Rot. Bonds

About (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one

(1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one (PubChem CID 134860947) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one.

Molecular Properties

Compound Name(1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one
PubChem CID134860947
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one
SMILESO=C1CC[C@@]23CCC[C@@H]2CC[C@@]13O
InChIInChI=1S/C11H16O2/c12-9-4-6-10-5-1-2-8(10)3-7-11(9,10)13/h8,13H,1-7H2/t8-,10+,11-/m1/s1
InChIKeyNZZPMVFWQCOEMK-DVVUODLYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one?
The IUPAC name of (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one (CID 134860947) is (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one.
What is the SMILES notation for (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one?
The canonical SMILES for (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one is O=C1CC[C@@]23CCC[C@@H]2CC[C@@]13O.
What is the InChIKey of (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one?
The InChIKey is NZZPMVFWQCOEMK-DVVUODLYSA-N. The full InChI is InChI=1S/C11H16O2/c12-9-4-6-10-5-1-2-8(10)3-7-11(9,10)13/h8,13H,1-7H2/t8-,10+,11-/m1/s1.
What are the key properties of (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one?
(1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,8R)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one is sourced from PubChem (CID 134860947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).