(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene

C20H30O — CID 101156511

IUPAC(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H30O/c1-14(2)17-12-11-15(3)13-20(17)21-19-10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,14-15,17,19-20H,6,8,10-13H2,1-3H3/t15-,17+,19-,20-/m1/s1
InChIKeyQSSWTBGCAFPUGF-MCYKXBRJSA-N
MW286.46 g/mol
LogP5.54
Rot. Bonds3

About (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene

(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 101156511) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene
PubChem CID101156511
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H30O/c1-14(2)17-12-11-15(3)13-20(17)21-19-10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,14-15,17,19-20H,6,8,10-13H2,1-3H3/t15-,17+,19-,20-/m1/s1
InChIKeyQSSWTBGCAFPUGF-MCYKXBRJSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
2-methoxy-N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 104674500
N-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357997
5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879
(3S,3aS,9aR)-3a-methyl-3-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,4,9,9a-tetrahydrobenzo[f][2]benzofuran-1-one
CID 59990981
(3S,3aS,9aR)-3a-methyl-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,4,9,9a-tetrahydrobenzo[f][2]benzofuran-1-one;(3R,3aR,9aS)-3a-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,4,9,9a-tetrahydrobenzo[f][2]benzofuran-1-one;(3R,3aR,9aS)-3a-methyl-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,4,9,9a-tetrahydrobenzo[f][2]benzofuran-1-one;(3S,3aS,9aR)-3a-methyl-3-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,4,9,9a-tetrahydrobenzo[f][2]benzofuran-1-one
CID 160871106
2,2-dimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-ol
CID 66366089
[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11617205
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
CID 6365001
CID 6365001
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene (CID 101156511) is (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1CCCc2ccccc21.
What is the InChIKey of (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is QSSWTBGCAFPUGF-MCYKXBRJSA-N. The full InChI is InChI=1S/C20H30O/c1-14(2)17-12-11-15(3)13-20(17)21-19-10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,14-15,17,19-20H,6,8,10-13H2,1-3H3/t15-,17+,19-,20-/m1/s1.
What are the key properties of (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene?
(1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 286.46 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 101156511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).