(1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one

C12H18O2 — CID 101488524

IUPAC(1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one
SMILESO=C1C[C@@H]2CC[C@]13CCC[C@@H](O)[C@H]3C2
InChIInChI=1S/C12H18O2/c13-10-2-1-4-12-5-3-8(6-9(10)12)7-11(12)14/h8-10,13H,1-7H2/t8-,9-,10-,12+/m1/s1
InChIKeyDWNQSTXWYJDQLW-BFLSOPEQSA-N
MW194.27 g/mol
LogP1.91
Rot. Bonds

About (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one

(1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one (PubChem CID 101488524) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one.

Molecular Properties

Compound Name(1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one
PubChem CID101488524
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one
SMILESO=C1C[C@@H]2CC[C@]13CCC[C@@H](O)[C@H]3C2
InChIInChI=1S/C12H18O2/c13-10-2-1-4-12-5-3-8(6-9(10)12)7-11(12)14/h8-10,13H,1-7H2/t8-,9-,10-,12+/m1/s1
InChIKeyDWNQSTXWYJDQLW-BFLSOPEQSA-N
XLogP1.91
TPSA37.30 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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one?
The IUPAC name of (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one (CID 101488524) is (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one.
What is the SMILES notation for (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one?
The canonical SMILES for (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one is O=C1C[C@@H]2CC[C@]13CCC[C@@H](O)[C@H]3C2.
What is the InChIKey of (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one?
The InChIKey is DWNQSTXWYJDQLW-BFLSOPEQSA-N. The full InChI is InChI=1S/C12H18O2/c13-10-2-1-4-12-5-3-8(6-9(10)12)7-11(12)14/h8-10,13H,1-7H2/t8-,9-,10-,12+/m1/s1.
What are the key properties of (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one?
(1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one has a molecular weight of 194.27 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one is sourced from PubChem (CID 101488524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).