(4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one

C10H16O2 — CID 41097381

IUPAC(4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
SMILESO=C1CC[C@H]2CCCC[C@@]2(O)C1
InChIInChI=1S/C10H16O2/c11-9-5-4-8-3-1-2-6-10(8,12)7-9/h8,12H,1-7H2/t8-,10-/m1/s1
InChIKeySZDWYASYOPNFRB-PSASIEDQSA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds

About (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one

(4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one (PubChem CID 41097381) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one.

Molecular Properties

Compound Name(4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
PubChem CID41097381
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
SMILESO=C1CC[C@H]2CCCC[C@@]2(O)C1
InChIInChI=1S/C10H16O2/c11-9-5-4-8-3-1-2-6-10(8,12)7-9/h8,12H,1-7H2/t8-,10-/m1/s1
InChIKeySZDWYASYOPNFRB-PSASIEDQSA-N
XLogP1.66
TPSA37.30 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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one?
The IUPAC name of (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one (CID 41097381) is (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one.
What is the SMILES notation for (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one?
The canonical SMILES for (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one is O=C1CC[C@H]2CCCC[C@@]2(O)C1.
What is the InChIKey of (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one?
The InChIKey is SZDWYASYOPNFRB-PSASIEDQSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-5-4-8-3-1-2-6-10(8,12)7-9/h8,12H,1-7H2/t8-,10-/m1/s1.
What are the key properties of (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one?
(4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one has a molecular weight of 168.24 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 (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one is sourced from PubChem (CID 41097381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).