[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene

C22H38 — CID 22960269

IUPAC[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene
SMILESCCC(CC)CC(CC(CC)CC)CC(C)c1ccccc1
InChIInChI=1S/C22H38/c1-6-19(7-2)16-21(17-20(8-3)9-4)15-18(5)22-13-11-10-12-14-22/h10-14,18-21H,6-9,15-17H2,1-5H3
InChIKeyUMFJBQGNRWXECA-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.45
Rot. Bonds11

About [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene

[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene (PubChem CID 22960269) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene.

Molecular Properties

Compound Name[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene
PubChem CID22960269
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene
SMILESCCC(CC)CC(CC(CC)CC)CC(C)c1ccccc1
InChIInChI=1S/C22H38/c1-6-19(7-2)16-21(17-20(8-3)9-4)15-18(5)22-13-11-10-12-14-22/h10-14,18-21H,6-9,15-17H2,1-5H3
InChIKeyUMFJBQGNRWXECA-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methylheptan-2-ylbenzene
CID 21055597
[(4S)-4-methoxyhexan-2-yl]benzene
CID 166439539
(1-bromo-4-ethyl-2-methylhexyl)benzene
CID 104846558
3-phenylbutane-1,1-diol
CID 18417931
(4R)-2-ethyl-4-phenylpentanenitrile
CID 58510500
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
pentan-2-ylbenzene
CID 17627
6-methyl-2-phenylnonan-4-ol
CID 65150012
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
4-phenyl-N-phosphanyl-N-propan-2-ylpentan-2-amine
CID 143536291
4-ethyl-2-phenylhexanoic acid
CID 81009184
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698

Frequently Asked Questions

What is the IUPAC name of [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene?
The IUPAC name of [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene (CID 22960269) is [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene.
What is the SMILES notation for [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene?
The canonical SMILES for [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene is CCC(CC)CC(CC(CC)CC)CC(C)c1ccccc1.
What is the InChIKey of [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene?
The InChIKey is UMFJBQGNRWXECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-6-19(7-2)16-21(17-20(8-3)9-4)15-18(5)22-13-11-10-12-14-22/h10-14,18-21H,6-9,15-17H2,1-5H3.
What are the key properties of [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene?
[6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene has a molecular weight of 302.55 g/mol, XLogP of 7.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-4-(2-ethylbutyl)octan-2-yl]benzene is sourced from PubChem (CID 22960269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).