[(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol

C15H25NO — CID 101124373

IUPAC[(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
SMILESCC1=C([C@@H]2C=C(CO)CCN2)C(C)(C)CCC1
InChIInChI=1S/C15H25NO/c1-11-5-4-7-15(2,3)14(11)13-9-12(10-17)6-8-16-13/h9,13,16-17H,4-8,10H2,1-3H3/t13-/m0/s1
InChIKeyZCOYMOLWNITYGM-ZDUSSCGKSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds2

About [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol

[(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol (PubChem CID 101124373) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol.

Molecular Properties

Compound Name[(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
PubChem CID101124373
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name[(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
SMILESCC1=C([C@@H]2C=C(CO)CCN2)C(C)(C)CCC1
InChIInChI=1S/C15H25NO/c1-11-5-4-7-15(2,3)14(11)13-9-12(10-17)6-8-16-13/h9,13,16-17H,4-8,10H2,1-3H3/t13-/m0/s1
InChIKeyZCOYMOLWNITYGM-ZDUSSCGKSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(6R)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
CID 101371966
(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol
CID 3022560
(3,3-dimethylcyclohexen-1-yl)methanol
CID 11116156
2-[2,6-dimethyl-6-(trideuterio(113C)methyl)cyclohexen-1-yl]-4-methyl-3,6-dihydro-2H-pyran-6-ol
CID 10466837
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
CID 590095
[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol
CID 98049886
methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
CID 174474246
4,5-dimethyl-6-methylidene-2-(2,6,6-trimethylcyclohexen-1-yl)-2,3-dihydropyran
CID 59164860
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)(1,2-13C2)penta-2,4-dien-1-ol
CID 10609084
(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 143276982
6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
CID 85287730
[(3aS,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]methanol
CID 10726152

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol?
The IUPAC name of [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol (CID 101124373) is [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol.
What is the SMILES notation for [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol?
The canonical SMILES for [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol is CC1=C([C@@H]2C=C(CO)CCN2)C(C)(C)CCC1.
What is the InChIKey of [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol?
The InChIKey is ZCOYMOLWNITYGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO/c1-11-5-4-7-15(2,3)14(11)13-9-12(10-17)6-8-16-13/h9,13,16-17H,4-8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol?
[(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol has a molecular weight of 235.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol is sourced from PubChem (CID 101124373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).