(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol

C10H16O — CID 101144558

IUPAC(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
SMILESO[C@H]1CCC=C2CCCC[C@H]21
InChIInChI=1S/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h5,9-11H,1-4,6-7H2/t9-,10+/m1/s1
InChIKeyUNZKEQURSALCLE-ZJUUUORDSA-N
MW152.24 g/mol
LogP2.26
Rot. Bonds

About (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol

(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol (PubChem CID 101144558) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
PubChem CID101144558
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
SMILESO[C@H]1CCC=C2CCCC[C@H]21
InChIInChI=1S/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h5,9-11H,1-4,6-7H2/t9-,10+/m1/s1
InChIKeyUNZKEQURSALCLE-ZJUUUORDSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 78062967
trans-(1S,2R)-2-(cyclohexen-1-yl)cyclobutan-1-ol
CID 12692992
(1S,6aS)-1,2,3,5,6,6a-hexahydropentalen-1-ol
CID 92842902
(1S,6aR)-1,2,4,5,6,6a-hexahydropentalen-1-ol
CID 131207368
(1E)-1-[2-[(1E)-cyclododecen-1-yl]cyclopentyl]cyclododecene
CID 141390482
cis-(1R,2R)-2-[5-[(3S)-3-(cyclohexen-1-yl)cyclohexyl]cyclohexen-1-yl]cyclohexan-1-ol
CID 166972270
7-(cyclohexen-1-yl)bicyclo[4.2.0]oct-1-ene
CID 589378
1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
CID 71527330
(4aS,4bR)-1,2,3,4,4a,4b,5,6,7,8-decahydrophenanthrene
CID 12714337
2-[[(3aS,4S)-2,3,3a,4,5,6-hexahydro-1H-inden-4-yl]oxy]ethanol
CID 130763765
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930

Frequently Asked Questions

What is the IUPAC name of (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol?
The IUPAC name of (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol (CID 101144558) is (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol.
What is the SMILES notation for (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol?
The canonical SMILES for (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol is O[C@H]1CCC=C2CCCC[C@H]21.
What is the InChIKey of (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol?
The InChIKey is UNZKEQURSALCLE-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h5,9-11H,1-4,6-7H2/t9-,10+/m1/s1.
What are the key properties of (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol?
(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol is sourced from PubChem (CID 101144558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).