3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene

C17H34 — CID 123750828

IUPAC3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene
SMILESCCC(=C(C)C)C(C)C(C)C(C)C(C)(C)CC
InChIInChI=1S/C17H34/c1-10-16(12(3)4)14(6)13(5)15(7)17(8,9)11-2/h13-15H,10-11H2,1-9H3
InChIKeyZQYRBELILKAUNO-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.08
Rot. Bonds6

About 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene

3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene (PubChem CID 123750828) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene.

Molecular Properties

Compound Name3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene
PubChem CID123750828
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene
SMILESCCC(=C(C)C)C(C)C(C)C(C)C(C)(C)CC
InChIInChI=1S/C17H34/c1-10-16(12(3)4)14(6)13(5)15(7)17(8,9)11-2/h13-15H,10-11H2,1-9H3
InChIKeyZQYRBELILKAUNO-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.08
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

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CID 91511171
2,3,5,6,7,7-hexamethylnonane
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2,2,3,5,5-pentamethylheptan-4-ol
CID 156689812
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714
3,3-dimethylpentan-2-yl acetate
CID 55253134
(5S)-N,2,3,3,4,5,6,6-octamethyloctan-2-amine
CID 146900012
5-ethyl-3,3,4-trimethylnonane
CID 57492068
3,3,4,5-tetramethyldodecane
CID 175562493
3-ethyl-5,6,6-trimethyloct-2-ene
CID 123986789
6-(2,3-dimethylbutyl)-2,5,7,8,8-pentamethyldecane
CID 123138590
(E)-3-ethyl-4-methylpent-2-en-2-ol
CID 173103704

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene?
The IUPAC name of 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene (CID 123750828) is 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene.
What is the SMILES notation for 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene?
The canonical SMILES for 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene is CCC(=C(C)C)C(C)C(C)C(C)C(C)(C)CC.
What is the InChIKey of 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene?
The InChIKey is ZQYRBELILKAUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-10-16(12(3)4)14(6)13(5)15(7)17(8,9)11-2/h13-15H,10-11H2,1-9H3.
What are the key properties of 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene?
3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene has a molecular weight of 238.46 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4,5,6,7,7-hexamethylnon-2-ene is sourced from PubChem (CID 123750828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).