1-benzyl-4-(2,4-dimethylpentyl)benzene

C20H26 — CID 147045778

IUPAC1-benzyl-4-(2,4-dimethylpentyl)benzene
SMILESCC(C)CC(C)Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H26/c1-16(2)13-17(3)14-19-9-11-20(12-10-19)15-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3
InChIKeyBAINHOJQOIPKHT-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.50
Rot. Bonds6

About 1-benzyl-4-(2,4-dimethylpentyl)benzene

1-benzyl-4-(2,4-dimethylpentyl)benzene (PubChem CID 147045778) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-benzyl-4-(2,4-dimethylpentyl)benzene.

Molecular Properties

Compound Name1-benzyl-4-(2,4-dimethylpentyl)benzene
PubChem CID147045778
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-benzyl-4-(2,4-dimethylpentyl)benzene
SMILESCC(C)CC(C)Cc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C20H26/c1-16(2)13-17(3)14-19-9-11-20(12-10-19)15-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3
InChIKeyBAINHOJQOIPKHT-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2,4-dimethylpentyl)-N-phenylaniline
CID 71054537
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene
CID 11001118
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
(2S,4R,6S)-2,4,6-trimethyl-7-phenylheptan-1-ol
CID 15830826
dimethyl-(2-methyl-3-phenylpropyl)alumane
CID 19598535
ethane;2-methylpropylbenzene
CID 162200929
2-methyl-3-phenylpropane-1-thiol
CID 19981761
2-methyl-3-phenylpropan-1-amine
CID 12672558
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,4-dimethylpentyl)benzene?
The IUPAC name of 1-benzyl-4-(2,4-dimethylpentyl)benzene (CID 147045778) is 1-benzyl-4-(2,4-dimethylpentyl)benzene.
What is the SMILES notation for 1-benzyl-4-(2,4-dimethylpentyl)benzene?
The canonical SMILES for 1-benzyl-4-(2,4-dimethylpentyl)benzene is CC(C)CC(C)Cc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-(2,4-dimethylpentyl)benzene?
The InChIKey is BAINHOJQOIPKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-16(2)13-17(3)14-19-9-11-20(12-10-19)15-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3.
What are the key properties of 1-benzyl-4-(2,4-dimethylpentyl)benzene?
1-benzyl-4-(2,4-dimethylpentyl)benzene has a molecular weight of 266.43 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,4-dimethylpentyl)benzene is sourced from PubChem (CID 147045778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).