1-methyl-2,4-bis(2-methylbutan-2-yl)benzene

C17H28 — CID 20667880

IUPAC1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(C)c(C(C)(C)CC)c1
InChIInChI=1S/C17H28/c1-8-16(4,5)14-11-10-13(3)15(12-14)17(6,7)9-2/h10-12H,8-9H2,1-7H3
InChIKeySIQCKLMQXPNZGD-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.37
Rot. Bonds4

About 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene

1-methyl-2,4-bis(2-methylbutan-2-yl)benzene (PubChem CID 20667880) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
PubChem CID20667880
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(C)c(C(C)(C)CC)c1
InChIInChI=1S/C17H28/c1-8-16(4,5)14-11-10-13(3)15(12-14)17(6,7)9-2/h10-12H,8-9H2,1-7H3
InChIKeySIQCKLMQXPNZGD-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol
CID 18957392
2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
CID 23002700
2,4-bis(2-methylbutan-2-yl)benzenesulfinate
CID 174420487
2,4-bis(2-methylbutan-2-yl)benzamide
CID 91508673
[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
CID 19899887
3-methyl-4-[4-(2-methylbutan-2-yl)phenyl]aniline
CID 66259186
2,5-bis(2-methylbutan-2-yl)benzaldehyde
CID 19739505
2-[2,5-bis(2-methylbutan-2-yl)phenoxy]ethanol
CID 22501514
1-butoxy-2,4-bis(2-methylbutan-2-yl)benzene;ethane
CID 145478769
[2,4,6-tris(2-methylbutan-2-yl)phenyl]-[2,4,6-tris(2-methylbutan-2-yl)phenyl]phosphanylidenephosphane
CID 15666236
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
1-[3-[3-[2,4-bis(2-methylbutan-2-yl)phenyl]prop-2-enoxy]prop-1-enyl]-2,4-bis(2-methylbutan-2-yl)benzene
CID 70525545

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene (CID 20667880) is 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene is CCC(C)(C)c1ccc(C)c(C(C)(C)CC)c1.
What is the InChIKey of 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene?
The InChIKey is SIQCKLMQXPNZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-8-16(4,5)14-11-10-13(3)15(12-14)17(6,7)9-2/h10-12H,8-9H2,1-7H3.
What are the key properties of 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene?
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene has a molecular weight of 232.41 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-bis(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 20667880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).