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

C10H14O2 — CID 54332065

IUPAC(4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
SMILESO=C1C=C2CCCC[C@@]2(O)CC1
InChIInChI=1S/C10H14O2/c11-9-4-6-10(12)5-2-1-3-8(10)7-9/h7,12H,1-6H2/t10-/m1/s1
InChIKeySZAMFUFDRIYOMV-SNVBAGLBSA-N
MW166.22 g/mol
LogP1.58
Rot. Bonds

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

(4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one (PubChem CID 54332065) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one.

Molecular Properties

Compound Name(4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
PubChem CID54332065
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
SMILESO=C1C=C2CCCC[C@@]2(O)CC1
InChIInChI=1S/C10H14O2/c11-9-4-6-10(12)5-2-1-3-8(10)7-9/h7,12H,1-6H2/t10-/m1/s1
InChIKeySZAMFUFDRIYOMV-SNVBAGLBSA-N
XLogP1.58
TPSA37.30 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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one?
The IUPAC name of (4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one (CID 54332065) is (4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one.
What is the SMILES notation for (4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one?
The canonical SMILES for (4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one is O=C1C=C2CCCC[C@@]2(O)CC1.
What is the InChIKey of (4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one?
The InChIKey is SZAMFUFDRIYOMV-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-4-6-10(12)5-2-1-3-8(10)7-9/h7,12H,1-6H2/t10-/m1/s1.
What are the key properties of (4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one?
(4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one is sourced from PubChem (CID 54332065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).