2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene

C17H24 — CID 161279154

IUPAC2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene
SMILESCc1cc(C2CC2)c(C(C)(C)C)c(C2CC2)c1
InChIInChI=1S/C17H24/c1-11-9-14(12-5-6-12)16(17(2,3)4)15(10-11)13-7-8-13/h9-10,12-13H,5-8H2,1-4H3
InChIKeyVEVQFDVCJRDVEG-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.05
Rot. Bonds2

About 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene

2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene (PubChem CID 161279154) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene.

Molecular Properties

Compound Name2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene
PubChem CID161279154
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene
SMILESCc1cc(C2CC2)c(C(C)(C)C)c(C2CC2)c1
InChIInChI=1S/C17H24/c1-11-9-14(12-5-6-12)16(17(2,3)4)15(10-11)13-7-8-13/h9-10,12-13H,5-8H2,1-4H3
InChIKeyVEVQFDVCJRDVEG-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-3,5-dimethyl-2-(2-methylbutan-2-yl)benzene
CID 142205633
1,3-ditert-butyl-2-cyclopropyl-5-methylbenzene;methane
CID 167499683
1,3-dicyclohexyl-2,5-dimethylbenzene
CID 91568948
2-tert-butyl-5-chloro-1,3-dicyclopropylbenzene;2-tert-butyl-5-chloro-1,3-di(propan-2-yl)benzene;2-tert-butyl-5-fluoro-1,3-di(propan-2-yl)benzene
CID 158246047
2,4-dimethyl-6-[4-[2-[4-(2,3,5-trimethylphenyl)cyclohexyl]propan-2-yl]cyclohexyl]phenol
CID 145238129
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
(4S)-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 79014174
4-tert-butyl-1-chloro-2-cyclopropylbenzene
CID 122594497
2-chloro-3-cyclopropyl-5-methylpyridine
CID 130050341
2-cyclopropyl-6-ethyl-4-methylbenzaldehyde
CID 87214087
4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
CID 116963215
9-tert-butyl-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43155021

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene?
The IUPAC name of 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene (CID 161279154) is 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene.
What is the SMILES notation for 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene?
The canonical SMILES for 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene is Cc1cc(C2CC2)c(C(C)(C)C)c(C2CC2)c1.
What is the InChIKey of 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene?
The InChIKey is VEVQFDVCJRDVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-11-9-14(12-5-6-12)16(17(2,3)4)15(10-11)13-7-8-13/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene?
2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-dicyclopropyl-5-methylbenzene is sourced from PubChem (CID 161279154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).