(2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

C16H28O — CID 98536249

IUPAC(2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESO[C@H]1C[C@H]2CCCC[C@H]2C[C@H]1C1CCCCC1
InChIInChI=1S/C16H28O/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h12-17H,1-11H2/t13-,14+,15-,16-/m0/s1
InChIKeyPEYQURPOCQODNT-FZKCQIBNSA-N
MW236.40 g/mol
LogP4.14
Rot. Bonds1

About (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol

(2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (PubChem CID 98536249) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
PubChem CID98536249
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SMILESO[C@H]1C[C@H]2CCCC[C@H]2C[C@H]1C1CCCCC1
InChIInChI=1S/C16H28O/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h12-17H,1-11H2/t13-,14+,15-,16-/m0/s1
InChIKeyPEYQURPOCQODNT-FZKCQIBNSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol with MolForge

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Related Compounds

(2S,3S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diol
CID 22215815
(3aR,5R,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-5,6-diol
CID 130891181
(1R)-2-cyclohexylcyclohexan-1-ol
CID 130125210
2-cyclooctylcyclohexan-1-ol
CID 22359607
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[11.1.0]tetradecane
CID 90981498
2-cyclopentylcyclobutan-1-ol
CID 154017265
2-cyclohexyl-5-cyclopentylcyclopentan-1-ol
CID 22937419
(2R,6R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 91749092
(1R,2S,6S,7R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 21118867
(2R,5R)-2,5-dicyclopentyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
CID 170528023
(1R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 54106302

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The IUPAC name of (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol (CID 98536249) is (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol.
What is the SMILES notation for (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The canonical SMILES for (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is O[C@H]1C[C@H]2CCCC[C@H]2C[C@H]1C1CCCCC1.
What is the InChIKey of (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
The InChIKey is PEYQURPOCQODNT-FZKCQIBNSA-N. The full InChI is InChI=1S/C16H28O/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h12-17H,1-11H2/t13-,14+,15-,16-/m0/s1.
What are the key properties of (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol?
(2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol has a molecular weight of 236.40 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4aS,8aR)-3-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol is sourced from PubChem (CID 98536249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).