1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene

C25H36 — CID 91568727

IUPAC1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene
SMILESCc1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c(C)c1C
InChIInChI=1S/C25H36/c1-14(2)21-12-22(15(3)4)25(23(13-21)16(5)6)24-11-17(7)18(8)19(9)20(24)10/h11-16H,1-10H3
InChIKeyYNAWBRWDJLJZOX-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.96
Rot. Bonds4

About 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene

1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene (PubChem CID 91568727) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene
PubChem CID91568727
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene
SMILESCc1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c(C)c1C
InChIInChI=1S/C25H36/c1-14(2)21-12-22(15(3)4)25(23(13-21)16(5)6)24-11-17(7)18(8)19(9)20(24)10/h11-16H,1-10H3
InChIKeyYNAWBRWDJLJZOX-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene?
The IUPAC name of 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene (CID 91568727) is 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene?
The canonical SMILES for 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene is Cc1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene?
The InChIKey is YNAWBRWDJLJZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36/c1-14(2)21-12-22(15(3)4)25(23(13-21)16(5)6)24-11-17(7)18(8)19(9)20(24)10/h11-16H,1-10H3.
What are the key properties of 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene?
1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene has a molecular weight of 336.56 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene is sourced from PubChem (CID 91568727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).