(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol

C16H30O — CID 124810976

IUPAC(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
SMILESC[C@H](O)[C@]1(C)C[C@@H]2[C@@H](CCCC2(C)C)C[C@H]1C
InChIInChI=1S/C16H30O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11-14,17H,6-10H2,1-5H3/t11-,12+,13+,14-,16-/m1/s1
InChIKeyXDFUNZJKZIEFPV-WZYWGQKZSA-N
MW238.41 g/mol
LogP4.25
Rot. Bonds1

About (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol

(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol (PubChem CID 124810976) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
PubChem CID124810976
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
SMILESC[C@H](O)[C@]1(C)C[C@@H]2[C@@H](CCCC2(C)C)C[C@H]1C
InChIInChI=1S/C16H30O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11-14,17H,6-10H2,1-5H3/t11-,12+,13+,14-,16-/m1/s1
InChIKeyXDFUNZJKZIEFPV-WZYWGQKZSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol with MolForge

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Related Compounds

1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
CID 15801257
6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
CID 174846059
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)propan-1-one
CID 174549331
2-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)acetaldehyde
CID 87129390
1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol
CID 138606662
4-cyclobutyl-1,1,2-trimethylcyclopentane
CID 148918740
1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 162269378
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
(4aR,8aS)-5,5-dimethyl-1,3,4,4a,6,7,8,8a-octahydroisochromen-3-ol
CID 11769214
1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol
CID 90738720

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol (CID 124810976) is (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol is C[C@H](O)[C@]1(C)C[C@@H]2[C@@H](CCCC2(C)C)C[C@H]1C.
What is the InChIKey of (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol?
The InChIKey is XDFUNZJKZIEFPV-WZYWGQKZSA-N. The full InChI is InChI=1S/C16H30O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11-14,17H,6-10H2,1-5H3/t11-,12+,13+,14-,16-/m1/s1.
What are the key properties of (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol?
(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol has a molecular weight of 238.41 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol is sourced from PubChem (CID 124810976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).