2-tert-butyl-1,3,5-tripropylbenzene

C19H32 — CID 123952647

IUPAC2-tert-butyl-1,3,5-tripropylbenzene
SMILESCCCc1cc(CCC)c(C(C)(C)C)c(CCC)c1
InChIInChI=1S/C19H32/c1-7-10-15-13-16(11-8-2)18(19(4,5)6)17(14-15)12-9-3/h13-14H,7-12H2,1-6H3
InChIKeyUOOUXRFHQMCTPH-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.84
Rot. Bonds6

About 2-tert-butyl-1,3,5-tripropylbenzene

2-tert-butyl-1,3,5-tripropylbenzene (PubChem CID 123952647) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 2-tert-butyl-1,3,5-tripropylbenzene.

Molecular Properties

Compound Name2-tert-butyl-1,3,5-tripropylbenzene
PubChem CID123952647
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name2-tert-butyl-1,3,5-tripropylbenzene
SMILESCCCc1cc(CCC)c(C(C)(C)C)c(CCC)c1
InChIInChI=1S/C19H32/c1-7-10-15-13-16(11-8-2)18(19(4,5)6)17(14-15)12-9-3/h13-14H,7-12H2,1-6H3
InChIKeyUOOUXRFHQMCTPH-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-tert-butyl-1,3,5-tripropylbenzene 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

(2,4,6-tripropylphenyl)phosphane
CID 158148560
2-tert-butyl-1,3,5-triethylbenzene
CID 140660512
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
CID 101311555
2-tert-butyl-1,5-bis(3,7,11,15-tetramethylhexadecyl)-3-(3,7,11-trimethylhexadecyl)benzene
CID 140748092
1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
CID 171405016
2-phenyl-1,3,5-tripropylbenzene
CID 91174687
2,6-bis[(hydroxyamino)methyl]-4-propylphenol
CID 174667863
2-[3-(2-hydroxypropan-2-yl)-5-propylphenyl]propan-2-ol
CID 129085390
1-(2,4-dipropylphenyl)-3,5-dipropylbenzene
CID 174954649
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene
CID 123667290
2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol
CID 70965594

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,5-tripropylbenzene?
The IUPAC name of 2-tert-butyl-1,3,5-tripropylbenzene (CID 123952647) is 2-tert-butyl-1,3,5-tripropylbenzene.
What is the SMILES notation for 2-tert-butyl-1,3,5-tripropylbenzene?
The canonical SMILES for 2-tert-butyl-1,3,5-tripropylbenzene is CCCc1cc(CCC)c(C(C)(C)C)c(CCC)c1.
What is the InChIKey of 2-tert-butyl-1,3,5-tripropylbenzene?
The InChIKey is UOOUXRFHQMCTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-7-10-15-13-16(11-8-2)18(19(4,5)6)17(14-15)12-9-3/h13-14H,7-12H2,1-6H3.
What are the key properties of 2-tert-butyl-1,3,5-tripropylbenzene?
2-tert-butyl-1,3,5-tripropylbenzene has a molecular weight of 260.46 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,5-tripropylbenzene is sourced from PubChem (CID 123952647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).