1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene

C19H32 — CID 123729518

IUPAC1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C19H32/c1-10-19(8,9)16-12-14(17(2,3)4)11-15(13-16)18(5,6)7/h11-13H,10H2,1-9H3
InChIKeyLVGMTCOOQUZCRJ-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.97
Rot. Bonds2

About 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene

1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene (PubChem CID 123729518) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
PubChem CID123729518
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C19H32/c1-10-19(8,9)16-12-14(17(2,3)4)11-15(13-16)18(5,6)7/h11-13H,10H2,1-9H3
InChIKeyLVGMTCOOQUZCRJ-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-tert-butyl-5-(2-methylbutan-2-yl)pyridine
CID 130358152
1,3-ditert-butyl-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 19017896
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane
CID 15666236
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
CID 23002700
1,3-difluoro-2-methoxy-5-(2-methylbutan-2-yl)benzene
CID 146480194
3-[3-tert-butyl-5-(2-methylbutan-2-yl)phenyl]-6-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 123981226
1,3-bis(2-methylbutan-2-yl)benzene;phenol
CID 175328016
[3-iodo-5-(2-methylbutan-2-yl)phenyl]methanamine
CID 173453881
1-tert-butyl-3-[[3-tert-butyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)benzene
CID 22166102

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene (CID 123729518) is 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene?
The InChIKey is LVGMTCOOQUZCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-10-19(8,9)16-12-14(17(2,3)4)11-15(13-16)18(5,6)7/h11-13H,10H2,1-9H3.
What are the key properties of 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene?
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene has a molecular weight of 260.46 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 123729518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).