(3-ethyl-4,4-dimethylhexan-3-yl)benzene

C16H26 — CID 147184303

IUPAC(3-ethyl-4,4-dimethylhexan-3-yl)benzene
SMILESCCC(C)(C)C(CC)(CC)c1ccccc1
InChIInChI=1S/C16H26/c1-6-15(4,5)16(7-2,8-3)14-12-10-9-11-13-14/h9-13H,6-8H2,1-5H3
InChIKeyCAEJGUUTLVWLHR-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.18
Rot. Bonds5

About (3-ethyl-4,4-dimethylhexan-3-yl)benzene

(3-ethyl-4,4-dimethylhexan-3-yl)benzene (PubChem CID 147184303) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (3-ethyl-4,4-dimethylhexan-3-yl)benzene.

Molecular Properties

Compound Name(3-ethyl-4,4-dimethylhexan-3-yl)benzene
PubChem CID147184303
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(3-ethyl-4,4-dimethylhexan-3-yl)benzene
SMILESCCC(C)(C)C(CC)(CC)c1ccccc1
InChIInChI=1S/C16H26/c1-6-15(4,5)16(7-2,8-3)14-12-10-9-11-13-14/h9-13H,6-8H2,1-5H3
InChIKeyCAEJGUUTLVWLHR-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
4,4-dimethyl-3-phenylhexane-3-thiol
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(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
ethane;3-methylpentan-3-ylbenzene
CID 90745317
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
[(3S)-3-methylpent-1-yn-3-yl]benzene
CID 11708103
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
(2,4-dimethyl-4-phenylhexan-2-yl)benzene;ethane
CID 90935976
2-chlorobutan-2-ylbenzene;ethane
CID 123404536
1,1-diphenylethanamine
CID 12761172
[4-methyl-2-(2-methyl-2-phenylpropyl)-4-phenylhexan-2-yl]benzene
CID 18739287
(4,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 59841354

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4,4-dimethylhexan-3-yl)benzene?
The IUPAC name of (3-ethyl-4,4-dimethylhexan-3-yl)benzene (CID 147184303) is (3-ethyl-4,4-dimethylhexan-3-yl)benzene.
What is the SMILES notation for (3-ethyl-4,4-dimethylhexan-3-yl)benzene?
The canonical SMILES for (3-ethyl-4,4-dimethylhexan-3-yl)benzene is CCC(C)(C)C(CC)(CC)c1ccccc1.
What is the InChIKey of (3-ethyl-4,4-dimethylhexan-3-yl)benzene?
The InChIKey is CAEJGUUTLVWLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-6-15(4,5)16(7-2,8-3)14-12-10-9-11-13-14/h9-13H,6-8H2,1-5H3.
What are the key properties of (3-ethyl-4,4-dimethylhexan-3-yl)benzene?
(3-ethyl-4,4-dimethylhexan-3-yl)benzene has a molecular weight of 218.38 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4,4-dimethylhexan-3-yl)benzene is sourced from PubChem (CID 147184303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).