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

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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).