[(2R,5R)-5-ethyl-2-methyloctyl]benzene

C17H28 — CID 3085733

IUPAC[(2R,5R)-5-ethyl-2-methyloctyl]benzene
SMILESCCCC(CC)CC[C@@H](C)Cc1ccccc1
InChIInChI=1S/C17H28/c1-4-9-16(5-2)13-12-15(3)14-17-10-7-6-8-11-17/h6-8,10-11,15-16H,4-5,9,12-14H2,1-3H3/t15-,16?/m1/s1
InChIKeyAFCQSOSAIBQVOU-AAFJCEBUSA-N
MW232.41 g/mol
LogP5.47
Rot. Bonds8

About [(2R,5R)-5-ethyl-2-methyloctyl]benzene

[(2R,5R)-5-ethyl-2-methyloctyl]benzene (PubChem CID 3085733) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is [(2R,5R)-5-ethyl-2-methyloctyl]benzene.

Molecular Properties

Compound Name[(2R,5R)-5-ethyl-2-methyloctyl]benzene
PubChem CID3085733
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name[(2R,5R)-5-ethyl-2-methyloctyl]benzene
SMILESCCCC(CC)CC[C@@H](C)Cc1ccccc1
InChIInChI=1S/C17H28/c1-4-9-16(5-2)13-12-15(3)14-17-10-7-6-8-11-17/h6-8,10-11,15-16H,4-5,9,12-14H2,1-3H3/t15-,16?/m1/s1
InChIKeyAFCQSOSAIBQVOU-AAFJCEBUSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
ethane;2-methylheptylbenzene
CID 142204161
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
1-(2-ethylpentyl)-4-phenylbenzene
CID 90914165
2-ethylbutylbenzene;methane
CID 158777195
pentan-2-ylbenzene;2-propylpentylbenzene
CID 142193599
2-methyl-3-phenylpropane-1-thiol
CID 19981761
6-ethyl-3-methylnonane;methane
CID 142358245
butyl-(5-ethyl-2-methyloctyl)-phenylazanium
CID 23123538
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
(2R)-2-benzylbutan-1-amine
CID 42325983

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-ethyl-2-methyloctyl]benzene?
The IUPAC name of [(2R,5R)-5-ethyl-2-methyloctyl]benzene (CID 3085733) is [(2R,5R)-5-ethyl-2-methyloctyl]benzene.
What is the SMILES notation for [(2R,5R)-5-ethyl-2-methyloctyl]benzene?
The canonical SMILES for [(2R,5R)-5-ethyl-2-methyloctyl]benzene is CCCC(CC)CC[C@@H](C)Cc1ccccc1.
What is the InChIKey of [(2R,5R)-5-ethyl-2-methyloctyl]benzene?
The InChIKey is AFCQSOSAIBQVOU-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H28/c1-4-9-16(5-2)13-12-15(3)14-17-10-7-6-8-11-17/h6-8,10-11,15-16H,4-5,9,12-14H2,1-3H3/t15-,16?/m1/s1.
What are the key properties of [(2R,5R)-5-ethyl-2-methyloctyl]benzene?
[(2R,5R)-5-ethyl-2-methyloctyl]benzene has a molecular weight of 232.41 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-ethyl-2-methyloctyl]benzene is sourced from PubChem (CID 3085733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).