1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene

C19H28 — CID 168760678

IUPAC1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene
SMILESCC1(c2ccccc2C2CCCC2C(C)(C)C)CC1
InChIInChI=1S/C19H28/c1-18(2,3)16-11-7-9-14(16)15-8-5-6-10-17(15)19(4)12-13-19/h5-6,8,10,14,16H,7,9,11-13H2,1-4H3
InChIKeyGIONGMSMHCERED-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.67
Rot. Bonds2

About 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene

1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene (PubChem CID 168760678) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene.

Molecular Properties

Compound Name1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene
PubChem CID168760678
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene
SMILESCC1(c2ccccc2C2CCCC2C(C)(C)C)CC1
InChIInChI=1S/C19H28/c1-18(2,3)16-11-7-9-14(16)15-8-5-6-10-17(15)19(4)12-13-19/h5-6,8,10,14,16H,7,9,11-13H2,1-4H3
InChIKeyGIONGMSMHCERED-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-2-(1-methylcyclopentyl)benzene
CID 54179575
1-tert-butyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-amine
CID 67934797
1-tert-butyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 23542126
(4aR,9S,9aS)-9-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-amine
CID 70658400
(2R,6R,7S,11R)-2-phenyltetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene
CID 15267160
8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
CID 54289417
(9aR)-1,1-bis(2-methoxyphenyl)-9,9-diphenyl-3,4,4a,9a-tetrahydro-2H-fluorene
CID 129046217
(2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene
CID 11171225
2-(1-methylcyclopropyl)benzaldehyde
CID 118117463
1-[2-(4,4-dimethylcyclohexyl)phenyl]cyclohexan-1-amine
CID 117460026
1'-methylspiro[1,2-dihydroindene-3,9'-tricyclo[6.2.1.02,7]undeca-2,4,6-triene]
CID 139627305
(3aS,4R,8bS)-4-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4-carboxylic acid
CID 124707596

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene?
The IUPAC name of 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene (CID 168760678) is 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene.
What is the SMILES notation for 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene?
The canonical SMILES for 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene is CC1(c2ccccc2C2CCCC2C(C)(C)C)CC1.
What is the InChIKey of 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene?
The InChIKey is GIONGMSMHCERED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-18(2,3)16-11-7-9-14(16)15-8-5-6-10-17(15)19(4)12-13-19/h5-6,8,10,14,16H,7,9,11-13H2,1-4H3.
What are the key properties of 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene?
1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene has a molecular weight of 256.43 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylcyclopentyl)-2-(1-methylcyclopropyl)benzene is sourced from PubChem (CID 168760678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).