1,3,5-trimethyl-2-octan-2-ylbenzene

C17H28 — CID 101366430

IUPAC1,3,5-trimethyl-2-octan-2-ylbenzene
SMILESCCCCCCC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H28/c1-6-7-8-9-10-14(3)17-15(4)11-13(2)12-16(17)5/h11-12,14H,6-10H2,1-5H3
InChIKeyIENNBHGEMYMAFG-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.69
Rot. Bonds6

About 1,3,5-trimethyl-2-octan-2-ylbenzene

1,3,5-trimethyl-2-octan-2-ylbenzene (PubChem CID 101366430) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-octan-2-ylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-octan-2-ylbenzene
PubChem CID101366430
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1,3,5-trimethyl-2-octan-2-ylbenzene
SMILESCCCCCCC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H28/c1-6-7-8-9-10-14(3)17-15(4)11-13(2)12-16(17)5/h11-12,14H,6-10H2,1-5H3
InChIKeyIENNBHGEMYMAFG-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
1,3-dimethyl-5-tetradecan-2-ylbenzene
CID 54014931
ethane;2-methylpropane-2-thiol;1,3,5-trimethyl-2-pentan-2-ylbenzene;hydrate
CID 142531600
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
CID 176709600
trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane
CID 88763207
N-methyl-3-(2,4,6-trimethylphenyl)butan-1-amine
CID 82077222
2-(1-chloropentyl)-1,3,5-trimethylbenzene
CID 63431372
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-octan-2-ylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-octan-2-ylbenzene (CID 101366430) is 1,3,5-trimethyl-2-octan-2-ylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-octan-2-ylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-octan-2-ylbenzene is CCCCCCC(C)c1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-octan-2-ylbenzene?
The InChIKey is IENNBHGEMYMAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-6-7-8-9-10-14(3)17-15(4)11-13(2)12-16(17)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 1,3,5-trimethyl-2-octan-2-ylbenzene?
1,3,5-trimethyl-2-octan-2-ylbenzene has a molecular weight of 232.41 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-octan-2-ylbenzene is sourced from PubChem (CID 101366430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).