1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane

C19H32 — CID 167499683

IUPAC1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane
SMILESC.Cc1cc(C(C)(C)C)c(C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H28.CH4/c1-12-10-14(17(2,3)4)16(13-8-9-13)15(11-12)18(5,6)7;/h10-11,13H,8-9H2,1-7H3;1H4
InChIKeyQXSLWEOGPZBOEH-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.10
Rot. Bonds1

About 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane

1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane (PubChem CID 167499683) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane.

Molecular Properties

Compound Name1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane
PubChem CID167499683
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane
SMILESC.Cc1cc(C(C)(C)C)c(C2CC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H28.CH4/c1-12-10-14(17(2,3)4)16(13-8-9-13)15(11-12)18(5,6)7;/h10-11,13H,8-9H2,1-7H3;1H4
InChIKeyQXSLWEOGPZBOEH-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,6-ditert-butyl-4-methylphenyl)oxirane
CID 121433136
2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene
CID 161279154
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
1,3-ditert-butyl-5-methyl-2-[(1R,2S)-2-phenylcyclopropyl]benzene
CID 135068964
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
calcium bis(2,6-ditert-butyl-4-methylphenolate)
CID 162348693
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
1-tert-butyl-3-cyclohexyl-5-methylbenzene
CID 155650846
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
CID 165138654
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane?
The IUPAC name of 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane (CID 167499683) is 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane.
What is the SMILES notation for 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane?
The canonical SMILES for 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane is C.Cc1cc(C(C)(C)C)c(C2CC2)c(C(C)(C)C)c1.
What is the InChIKey of 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane?
The InChIKey is QXSLWEOGPZBOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28.CH4/c1-12-10-14(17(2,3)4)16(13-8-9-13)15(11-12)18(5,6)7;/h10-11,13H,8-9H2,1-7H3;1H4.
What are the key properties of 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane?
1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane has a molecular weight of 260.46 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane is sourced from PubChem (CID 167499683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).