2,2,4-trimethyloctan-3-ylbenzene

C17H28 — CID 151316851

IUPAC2,2,4-trimethyloctan-3-ylbenzene
SMILESCCCCC(C)C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28/c1-6-7-11-14(2)16(17(3,4)5)15-12-9-8-10-13-15/h8-10,12-14,16H,6-7,11H2,1-5H3
InChIKeyOFPPHCZOLXTYJC-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.64
Rot. Bonds5

About 2,2,4-trimethyloctan-3-ylbenzene

2,2,4-trimethyloctan-3-ylbenzene (PubChem CID 151316851) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2,2,4-trimethyloctan-3-ylbenzene.

Molecular Properties

Compound Name2,2,4-trimethyloctan-3-ylbenzene
PubChem CID151316851
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name2,2,4-trimethyloctan-3-ylbenzene
SMILESCCCCC(C)C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28/c1-6-7-11-14(2)16(17(3,4)5)15-12-9-8-10-13-15/h8-10,12-14,16H,6-7,11H2,1-5H3
InChIKeyOFPPHCZOLXTYJC-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 173025924
(2-methyl-1-propan-2-yloxyhexyl)benzene
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2,2,4,5,5-pentamethylhexan-3-ylbenzene
CID 123822213
2,2-dimethyl-3-phenylheptanal
CID 174996144
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754
4,4-dimethyl-3-phenylpentan-2-ol
CID 91224802
(1-bromo-2-methylnonyl)benzene
CID 104846505
CID 173139841
CID 173139841
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
dichloro(1-phenylpentyl)silane
CID 173039565
(2R)-2-phenylheptan-3-ol
CID 91322845

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyloctan-3-ylbenzene?
The IUPAC name of 2,2,4-trimethyloctan-3-ylbenzene (CID 151316851) is 2,2,4-trimethyloctan-3-ylbenzene.
What is the SMILES notation for 2,2,4-trimethyloctan-3-ylbenzene?
The canonical SMILES for 2,2,4-trimethyloctan-3-ylbenzene is CCCCC(C)C(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2,2,4-trimethyloctan-3-ylbenzene?
The InChIKey is OFPPHCZOLXTYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-6-7-11-14(2)16(17(3,4)5)15-12-9-8-10-13-15/h8-10,12-14,16H,6-7,11H2,1-5H3.
What are the key properties of 2,2,4-trimethyloctan-3-ylbenzene?
2,2,4-trimethyloctan-3-ylbenzene has a molecular weight of 232.41 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyloctan-3-ylbenzene is sourced from PubChem (CID 151316851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).