1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene

C20H26 — CID 175315928

IUPAC1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
SMILESCCC(Cc1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C20H26/c1-6-19(20-11-16(4)8-17(5)12-20)13-18-9-14(2)7-15(3)10-18/h7-12,19H,6,13H2,1-5H3
InChIKeyQMDIMOPRXBCQMW-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.66
Rot. Bonds4

About 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene

1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene (PubChem CID 175315928) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
PubChem CID175315928
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
SMILESCCC(Cc1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C20H26/c1-6-19(20-11-16(4)8-17(5)12-20)13-18-9-14(2)7-15(3)10-18/h7-12,19H,6,13H2,1-5H3
InChIKeyQMDIMOPRXBCQMW-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
CID 63562396
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
1-(2-chlorobutyl)-3,5-dimethylbenzene
CID 130480288
(2S)-1-(3,5-dimethylphenyl)butan-2-amine
CID 104932267
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
2-methylbutane;1,3,5-trimethylbenzene
CID 162176469
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
1-(1,3-dichloropropan-2-yl)-3,5-dimethylbenzene
CID 25021518
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
CID 64666954
3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
CID 65430220

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene (CID 175315928) is 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene is CCC(Cc1cc(C)cc(C)c1)c1cc(C)cc(C)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene?
The InChIKey is QMDIMOPRXBCQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-6-19(20-11-16(4)8-17(5)12-20)13-18-9-14(2)7-15(3)10-18/h7-12,19H,6,13H2,1-5H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene?
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene has a molecular weight of 266.43 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene is sourced from PubChem (CID 175315928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).