1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane

C24H44 — CID 145222909

IUPAC1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane
SMILESC.CC(C)CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C23H40.CH4/c1-16(2)12-20(23(9,10)11)17-13-18(21(3,4)5)15-19(14-17)22(6,7)8;/h13-16,20H,12H2,1-11H3;1H4
InChIKeyCUSWKQDMZBOAOI-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.09
Rot. Bonds3

About 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane

1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane (PubChem CID 145222909) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane.

Molecular Properties

Compound Name1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane
PubChem CID145222909
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane
SMILESC.CC(C)CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C23H40.CH4/c1-16(2)12-20(23(9,10)11)17-13-18(21(3,4)5)15-19(14-17)22(6,7)8;/h13-16,20H,12H2,1-11H3;1H4
InChIKeyCUSWKQDMZBOAOI-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane
CID 144560114
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
1-methyl-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 91000681
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
1-(3,5-ditert-butylphenyl)ethyl-trimethylsilane
CID 174954142
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
1-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methyl]pyridin-1-ium
CID 143647365
tert-butyl 4-(2,2,5-trimethylhexan-3-yl)benzoate
CID 130350629
1-propan-2-yl-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 144677187
2-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methoxymethyl]oxirane
CID 144895913
5-(2,2-dimethylpentan-3-yl)benzene-1,3-diamine
CID 163693878
1-(2,2-dimethylpentan-3-yl)-3,5-difluorobenzene
CID 58063354

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane?
The IUPAC name of 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane (CID 145222909) is 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane.
What is the SMILES notation for 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane?
The canonical SMILES for 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane is C.CC(C)CC(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane?
The InChIKey is CUSWKQDMZBOAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40.CH4/c1-16(2)12-20(23(9,10)11)17-13-18(21(3,4)5)15-19(14-17)22(6,7)8;/h13-16,20H,12H2,1-11H3;1H4.
What are the key properties of 1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane?
1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane has a molecular weight of 332.62 g/mol, XLogP of 8.09, 3 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-(2,2,5-trimethylhexan-3-yl)benzene;methane is sourced from PubChem (CID 145222909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).