1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene

C22H30 — CID 23533123

IUPAC1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
SMILESCc1cc(C)c(C)c(Cc2c(C)c(C)c(C)c(C)c2C)c1C
InChIInChI=1S/C22H30/c1-12-10-13(2)15(4)21(14(12)3)11-22-19(8)17(6)16(5)18(7)20(22)9/h10H,11H2,1-9H3
InChIKeyMOTDSHGCLNKSFR-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.05
Rot. Bonds2

About 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene

1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene (PubChem CID 23533123) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
PubChem CID23533123
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
SMILESCc1cc(C)c(C)c(Cc2c(C)c(C)c(C)c(C)c2C)c1C
InChIInChI=1S/C22H30/c1-12-10-13(2)15(4)21(14(12)3)11-22-19(8)17(6)16(5)18(7)20(22)9/h10H,11H2,1-9H3
InChIKeyMOTDSHGCLNKSFR-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene (CID 23533123) is 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene is Cc1cc(C)c(C)c(Cc2c(C)c(C)c(C)c(C)c2C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene?
The InChIKey is MOTDSHGCLNKSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-12-10-13(2)15(4)21(14(12)3)11-22-19(8)17(6)16(5)18(7)20(22)9/h10H,11H2,1-9H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene?
1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene has a molecular weight of 294.48 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene is sourced from PubChem (CID 23533123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).