1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene

C20H30 — CID 142016775

IUPAC1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene
SMILESCc1ccc([C@@]2(C(C)(C)C)C=CC(C(C)C)CC2)cc1
InChIInChI=1S/C20H30/c1-15(2)17-11-13-20(14-12-17,19(4,5)6)18-9-7-16(3)8-10-18/h7-11,13,15,17H,12,14H2,1-6H3/t17?,20-/m1/s1
InChIKeySGAHYQONIYSMFE-UUSAFJCLSA-N
MW270.46 g/mol
LogP5.90
Rot. Bonds2

About 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene

1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene (PubChem CID 142016775) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene
PubChem CID142016775
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene
SMILESCc1ccc([C@@]2(C(C)(C)C)C=CC(C(C)C)CC2)cc1
InChIInChI=1S/C20H30/c1-15(2)17-11-13-20(14-12-17,19(4,5)6)18-9-7-16(3)8-10-18/h7-11,13,15,17H,12,14H2,1-6H3/t17?,20-/m1/s1
InChIKeySGAHYQONIYSMFE-UUSAFJCLSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406811
1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
CID 140825666
1-(4-methylphenyl)bicyclo[2.2.2]octane
CID 58390113
1-(2-methylprop-1-enyl)-4-propan-2-ylcyclohex-2-en-1-ol
CID 165498443
propan-2-ylcyclobutane;1,4-xylene
CID 161065038
(1R,2S,4S,7R)-4,7-bis(4-methylphenyl)-3,8-dioxatricyclo[5.1.0.02,4]octane
CID 12038227
1-methyl-4-[4-methyl-1-(4-methylphenyl)cyclohexyl]benzene
CID 54434064
(1S,4R,5S,6S)-5,6-dimethyl-1,4-bis(4-methylphenyl)-2,3-dioxabicyclo[2.2.2]octane
CID 10639592
N-[4-[4-tert-butyl-1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 19891768
5,5-bis(4-methylphenyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90471050
5,10,16-trimethyl-13-propan-2-yl-4,9,17-trioxatetracyclo[14.1.0.03,5.08,10]heptadec-14-ene
CID 5250430
(2R,3S)-2-methyl-3-(4-methylphenyl)thiolan-3-ol
CID 124547206

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene?
The IUPAC name of 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene (CID 142016775) is 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene?
The canonical SMILES for 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene is Cc1ccc([C@@]2(C(C)(C)C)C=CC(C(C)C)CC2)cc1.
What is the InChIKey of 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene?
The InChIKey is SGAHYQONIYSMFE-UUSAFJCLSA-N. The full InChI is InChI=1S/C20H30/c1-15(2)17-11-13-20(14-12-17,19(4,5)6)18-9-7-16(3)8-10-18/h7-11,13,15,17H,12,14H2,1-6H3/t17?,20-/m1/s1.
What are the key properties of 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene?
1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene has a molecular weight of 270.46 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-tert-butyl-4-propan-2-ylcyclohex-2-en-1-yl]-4-methylbenzene is sourced from PubChem (CID 142016775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).