5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane

C16H32 — CID 123951483

IUPAC5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane
SMILESC=CC(C(C)C(C)(CC)CC)C(C)(C)CC
InChIInChI=1S/C16H32/c1-9-14(15(6,7)10-2)13(5)16(8,11-3)12-4/h9,13-14H,1,10-12H2,2-8H3
InChIKeyYEEXYCBZIZLJLQ-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.69
Rot. Bonds7

About 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane

5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane (PubChem CID 123951483) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane.

Molecular Properties

Compound Name5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane
PubChem CID123951483
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane
SMILESC=CC(C(C)C(C)(CC)CC)C(C)(C)CC
InChIInChI=1S/C16H32/c1-9-14(15(6,7)10-2)13(5)16(8,11-3)12-4/h9,13-14H,1,10-12H2,2-8H3
InChIKeyYEEXYCBZIZLJLQ-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
3,5,6,6-tetramethyloct-1-ene
CID 123650579
(3R,5R)-5-ethenyl-6,6-dimethyl-3-(2-methylbutan-2-yl)octan-2-ol
CID 126490264
N-ethenyl-2,3,3-trimethylpentan-1-amine
CID 144685740
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
3-ethyl-2,3,5-trimethylhexane
CID 53428900
2-(2-aminopropan-2-yl)-3,4,4-trimethylhexanal
CID 123421258
but-1-ene;3,3-dimethylbut-1-ene;3-methylbut-1-ene;prop-1-ene
CID 174863450
4-ethyl-4-methyl-5-propan-2-yloct-1-ene
CID 123477020
2,2,3,5,5-pentamethylheptan-4-ol
CID 156689812
2-ethyl-2,3,4-trimethylpentan-1-amine
CID 131230930

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane?
The IUPAC name of 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane (CID 123951483) is 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane.
What is the SMILES notation for 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane?
The canonical SMILES for 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane is C=CC(C(C)C(C)(CC)CC)C(C)(C)CC.
What is the InChIKey of 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane?
The InChIKey is YEEXYCBZIZLJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-9-14(15(6,7)10-2)13(5)16(8,11-3)12-4/h9,13-14H,1,10-12H2,2-8H3.
What are the key properties of 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane?
5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane has a molecular weight of 224.43 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-ethyl-3,4,6,6-tetramethyloctane is sourced from PubChem (CID 123951483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).