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

C15H28O — CID 154016462

IUPAC[(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol
SMILESC[C@H]1[C@@H](CO)CC[C@H]2C(C)(C)CCC[C@]12C
InChIInChI=1S/C15H28O/c1-11-12(10-16)6-7-13-14(2,3)8-5-9-15(11,13)4/h11-13,16H,5-10H2,1-4H3/t11-,12+,13-,15+/m0/s1
InChIKeyTVNIOWFDCSKRGG-SFDCQRBFSA-N
MW224.39 g/mol
LogP3.86
Rot. Bonds1

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

[(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol (PubChem CID 154016462) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is [(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol
PubChem CID154016462
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name[(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol
SMILESC[C@H]1[C@@H](CO)CC[C@H]2C(C)(C)CCC[C@]12C
InChIInChI=1S/C15H28O/c1-11-12(10-16)6-7-13-14(2,3)8-5-9-15(11,13)4/h11-13,16H,5-10H2,1-4H3/t11-,12+,13-,15+/m0/s1
InChIKeyTVNIOWFDCSKRGG-SFDCQRBFSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol?
The IUPAC name of [(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol (CID 154016462) is [(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol?
The canonical SMILES for [(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol is C[C@H]1[C@@H](CO)CC[C@H]2C(C)(C)CCC[C@]12C.
What is the InChIKey of [(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol?
The InChIKey is TVNIOWFDCSKRGG-SFDCQRBFSA-N. The full InChI is InChI=1S/C15H28O/c1-11-12(10-16)6-7-13-14(2,3)8-5-9-15(11,13)4/h11-13,16H,5-10H2,1-4H3/t11-,12+,13-,15+/m0/s1.
What are the key properties of [(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol?
[(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol has a molecular weight of 224.39 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 154016462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).