2,2,5,5-tetramethylhexan-3-ylbenzene

C16H26 — CID 546256

IUPAC2,2,5,5-tetramethylhexan-3-ylbenzene
SMILESCC(C)(C)CC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26/c1-15(2,3)12-14(16(4,5)6)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKeyWGFFKVBHRMFZKS-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.25
Rot. Bonds2

About 2,2,5,5-tetramethylhexan-3-ylbenzene

2,2,5,5-tetramethylhexan-3-ylbenzene (PubChem CID 546256) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2,2,5,5-tetramethylhexan-3-ylbenzene.

Molecular Properties

Compound Name2,2,5,5-tetramethylhexan-3-ylbenzene
PubChem CID546256
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2,2,5,5-tetramethylhexan-3-ylbenzene
SMILESCC(C)(C)CC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26/c1-15(2,3)12-14(16(4,5)6)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
InChIKeyWGFFKVBHRMFZKS-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
2,2,5,5,6,7,7-heptamethyloctan-4-ylbenzene
CID 90806094
2,2,5,5-tetramethylhexan-3-ylbenzene;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 143754679
2,2,5,5-tetramethyloctan-3-ylbenzene
CID 144612557
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene
CID 149433737
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol
CID 126723379
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
(3,3-dimethyl-1-phenylbutyl)silane
CID 173451973

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethylhexan-3-ylbenzene?
The IUPAC name of 2,2,5,5-tetramethylhexan-3-ylbenzene (CID 546256) is 2,2,5,5-tetramethylhexan-3-ylbenzene.
What is the SMILES notation for 2,2,5,5-tetramethylhexan-3-ylbenzene?
The canonical SMILES for 2,2,5,5-tetramethylhexan-3-ylbenzene is CC(C)(C)CC(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2,2,5,5-tetramethylhexan-3-ylbenzene?
The InChIKey is WGFFKVBHRMFZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-15(2,3)12-14(16(4,5)6)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethylhexan-3-ylbenzene?
2,2,5,5-tetramethylhexan-3-ylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylhexan-3-ylbenzene is sourced from PubChem (CID 546256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).