2,2,5-trimethylhexan-3-ylbenzene

C15H24 — CID 18669937

IUPAC2,2,5-trimethylhexan-3-ylbenzene
SMILESCC(C)CC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H24/c1-12(2)11-14(15(3,4)5)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3
InChIKeySTYMEMRBYROGDZ-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.86
Rot. Bonds3

About 2,2,5-trimethylhexan-3-ylbenzene

2,2,5-trimethylhexan-3-ylbenzene (PubChem CID 18669937) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,2,5-trimethylhexan-3-ylbenzene.

Molecular Properties

Compound Name2,2,5-trimethylhexan-3-ylbenzene
PubChem CID18669937
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2,2,5-trimethylhexan-3-ylbenzene
SMILESCC(C)CC(c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H24/c1-12(2)11-14(15(3,4)5)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3
InChIKeySTYMEMRBYROGDZ-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 91000681
1-[[4-(2,2,5-trimethylhexan-3-yl)phenyl]methyl]pyridin-1-ium
CID 143647365
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
4,4,5,5,8-pentamethyl-6-phenyl-2-propan-2-ylnonanenitrile
CID 154979941
[(1R)-3-methyl-1-phenylbutyl]azanium
CID 2496574
2,2,5,5-tetramethyloctan-3-ylbenzene
CID 144612557
(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene
CID 137470880
1,3-ditert-butyl-5-(2,2,5-trimethylhexan-3-yl)benzene;methane
CID 145222909
methanol;1-(2,2,5-trimethylhexan-3-yl)naphthalene
CID 144559923
tert-butyl 4-(2,2,5-trimethylhexan-3-yl)benzoate
CID 130350629
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
4,4-dimethyl-3-phenylpentanamide
CID 82077159

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethylhexan-3-ylbenzene?
The IUPAC name of 2,2,5-trimethylhexan-3-ylbenzene (CID 18669937) is 2,2,5-trimethylhexan-3-ylbenzene.
What is the SMILES notation for 2,2,5-trimethylhexan-3-ylbenzene?
The canonical SMILES for 2,2,5-trimethylhexan-3-ylbenzene is CC(C)CC(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2,2,5-trimethylhexan-3-ylbenzene?
The InChIKey is STYMEMRBYROGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)11-14(15(3,4)5)13-9-7-6-8-10-13/h6-10,12,14H,11H2,1-5H3.
What are the key properties of 2,2,5-trimethylhexan-3-ylbenzene?
2,2,5-trimethylhexan-3-ylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylhexan-3-ylbenzene is sourced from PubChem (CID 18669937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).