2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene

C34H54 — CID 23002700

IUPAC2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cc(-c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2C)c(C)c(C(C)(C)CC)c1
InChIInChI=1S/C34H54/c1-15-31(7,8)25-19-27(23(5)29(21-25)33(11,12)17-3)28-20-26(32(9,10)16-2)22-30(24(28)6)34(13,14)18-4/h19-22H,15-18H2,1-14H3
InChIKeyGQWAQSODYZRGFH-UHFFFAOYSA-N
MW462.81 g/mol
LogP10.72
Rot. Bonds9

About 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene

2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene (PubChem CID 23002700) has the molecular formula C34H54 and a molecular weight of 462.81 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
PubChem CID23002700
Molecular FormulaC34H54
Molecular Weight462.81 g/mol
Exact Mass462.42
IUPAC Name2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cc(-c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2C)c(C)c(C(C)(C)CC)c1
InChIInChI=1S/C34H54/c1-15-31(7,8)25-19-27(23(5)29(21-25)33(11,12)17-3)28-20-26(32(9,10)16-2)22-30(24(28)6)34(13,14)18-4/h19-22H,15-18H2,1-14H3
InChIKeyGQWAQSODYZRGFH-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.81
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene?
The IUPAC name of 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene (CID 23002700) is 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene?
The canonical SMILES for 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene is CCC(C)(C)c1cc(-c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2C)c(C)c(C(C)(C)CC)c1.
What is the InChIKey of 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene?
The InChIKey is GQWAQSODYZRGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54/c1-15-31(7,8)25-19-27(23(5)29(21-25)33(11,12)17-3)28-20-26(32(9,10)16-2)22-30(24(28)6)34(13,14)18-4/h19-22H,15-18H2,1-14H3.
What are the key properties of 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene?
2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene has a molecular weight of 462.81 g/mol, XLogP of 10.72, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 23002700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).