(4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one

C10H16O2 — CID 12839726

IUPAC(4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
SMILESO=C1CC[C@@H]2CC[C@H](O)C[C@H]2C1
InChIInChI=1S/C10H16O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h7-9,11H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyMMWWYFJZZQPSOP-CIUDSAMLSA-N
MW168.24 g/mol
LogP1.52
Rot. Bonds

About (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one

(4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one (PubChem CID 12839726) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
PubChem CID12839726
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
SMILESO=C1CC[C@@H]2CC[C@H](O)C[C@H]2C1
InChIInChI=1S/C10H16O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h7-9,11H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyMMWWYFJZZQPSOP-CIUDSAMLSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one with MolForge

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Related Compounds

4-(4-hydroxycyclohexyl)cyclohexan-1-one
CID 10198069
7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 88586098
ethane;(3S,14S)-3-hydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,17-hexadecahydrocyclopenta[a]phenanthren-16-one
CID 144685601
3-cyclohexylcyclopentan-1-one
CID 11105726
6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 67967191
formaldehyde;3-(4-methylcyclohexyl)cyclopentan-1-one
CID 142844571
(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 7188325
(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 640668
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
CID 13056507
(1R,3aS,7aR)-1-hydroxy-3,3a,4,6,7,7a-hexahydro-1H-2-benzofuran-5-one
CID 155761046
4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol;4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-one
CID 159910413
3-cyclohexylcyclopentan-1-ol
CID 64515309

Frequently Asked Questions

What is the IUPAC name of (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one?
The IUPAC name of (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one (CID 12839726) is (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one.
What is the SMILES notation for (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one?
The canonical SMILES for (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one is O=C1CC[C@@H]2CC[C@H](O)C[C@H]2C1.
What is the InChIKey of (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one?
The InChIKey is MMWWYFJZZQPSOP-CIUDSAMLSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h7-9,11H,1-6H2/t7-,8-,9-/m0/s1.
What are the key properties of (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one?
(4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one is sourced from PubChem (CID 12839726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).