1-tert-butyl-2,3-di(propan-2-yl)benzene

C16H26 — CID 58827360

IUPAC1-tert-butyl-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C16H26/c1-11(2)13-9-8-10-14(16(5,6)7)15(13)12(3)4/h8-12H,1-7H3
InChIKeyKZWCMTJEILHZSF-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.23
Rot. Bonds2

About 1-tert-butyl-2,3-di(propan-2-yl)benzene

1-tert-butyl-2,3-di(propan-2-yl)benzene (PubChem CID 58827360) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-tert-butyl-2,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-tert-butyl-2,3-di(propan-2-yl)benzene
PubChem CID58827360
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-tert-butyl-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C16H26/c1-11(2)13-9-8-10-14(16(5,6)7)15(13)12(3)4/h8-12H,1-7H3
InChIKeyKZWCMTJEILHZSF-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2,3-di(propan-2-yl)phenyl]-2-methylpropanal
CID 87916121
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123
3-tert-butyl-2-propan-2-ylaniline
CID 59734465
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
CID 177342998
1-tert-butyl-3-nitroso-2-propan-2-ylbenzene
CID 174619998
1-tert-butyl-3-hydroperoxy-2-propan-2-ylbenzene
CID 141095074
1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene
CID 141059308
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
3-tert-butyl-8-propan-2-ylquinolin-2-amine
CID 63382273
4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine
CID 126603379
1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
CID 91401527

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-di(propan-2-yl)benzene?
The IUPAC name of 1-tert-butyl-2,3-di(propan-2-yl)benzene (CID 58827360) is 1-tert-butyl-2,3-di(propan-2-yl)benzene.
What is the SMILES notation for 1-tert-butyl-2,3-di(propan-2-yl)benzene?
The canonical SMILES for 1-tert-butyl-2,3-di(propan-2-yl)benzene is CC(C)c1cccc(C(C)(C)C)c1C(C)C.
What is the InChIKey of 1-tert-butyl-2,3-di(propan-2-yl)benzene?
The InChIKey is KZWCMTJEILHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-11(2)13-9-8-10-14(16(5,6)7)15(13)12(3)4/h8-12H,1-7H3.
What are the key properties of 1-tert-butyl-2,3-di(propan-2-yl)benzene?
1-tert-butyl-2,3-di(propan-2-yl)benzene has a molecular weight of 218.38 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-di(propan-2-yl)benzene is sourced from PubChem (CID 58827360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).