1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene

C20H32O — CID 134850265

IUPAC1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene
SMILESCO[C@@H](CCCC1CCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32O/c1-20(2,3)18-14-12-17(13-15-18)19(21-4)11-7-10-16-8-5-6-9-16/h12-16,19H,5-11H2,1-4H3/t19-/m0/s1
InChIKeyQTWXUPJIYVRQIX-IBGZPJMESA-N
MW288.48 g/mol
LogP6.03
Rot. Bonds6

About 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene

1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene (PubChem CID 134850265) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene
PubChem CID134850265
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene
SMILESCO[C@@H](CCCC1CCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32O/c1-20(2,3)18-14-12-17(13-15-18)19(21-4)11-7-10-16-8-5-6-9-16/h12-16,19H,5-11H2,1-4H3/t19-/m0/s1
InChIKeyQTWXUPJIYVRQIX-IBGZPJMESA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
[1-(4-tert-butylphenyl)-3-cyclohexylpropyl]hydrazine
CID 105300386
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323254
1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene
CID 66258438
1-tert-butyl-4-[(1S,3S)-3-ethyl-1-methoxyheptyl]benzene
CID 134850947
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxane
CID 63952188
4-methylpentylcyclopentane
CID 523530
1-tert-butyl-4-(dimethoxymethyl)benzene
CID 11085047
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
4-cyclopentyl-1-phenylbutan-1-amine
CID 64504653

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene?
The IUPAC name of 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene (CID 134850265) is 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene is CO[C@@H](CCCC1CCCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene?
The InChIKey is QTWXUPJIYVRQIX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H32O/c1-20(2,3)18-14-12-17(13-15-18)19(21-4)11-7-10-16-8-5-6-9-16/h12-16,19H,5-11H2,1-4H3/t19-/m0/s1.
What are the key properties of 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene?
1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene has a molecular weight of 288.48 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(1S)-4-cyclopentyl-1-methoxybutyl]benzene is sourced from PubChem (CID 134850265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).