2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane

C18H34O2 — CID 150521704

IUPAC2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane
SMILESC=CCCCCC1(CC)OC(CC)C(CC)OC1CC
InChIInChI=1S/C18H34O2/c1-6-11-12-13-14-18(10-5)17(9-4)19-15(7-2)16(8-3)20-18/h6,15-17H,1,7-14H2,2-5H3
InChIKeyIBZIBVFSLQOGMH-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.26
Rot. Bonds9

About 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane

2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane (PubChem CID 150521704) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane.

Molecular Properties

Compound Name2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane
PubChem CID150521704
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane
SMILESC=CCCCCC1(CC)OC(CC)C(CC)OC1CC
InChIInChI=1S/C18H34O2/c1-6-11-12-13-14-18(10-5)17(9-4)19-15(7-2)16(8-3)20-18/h6,15-17H,1,7-14H2,2-5H3
InChIKeyIBZIBVFSLQOGMH-UHFFFAOYSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene
CID 22808191
5-Ethenyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methylnon-1-ene
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2-ethyl-4-methyl-3-(3,4,5,6-tetramethyloctan-2-yloxy)-3,4-dihydro-2H-pyran
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(2R,3S)-3-[(Z)-hept-3-enyl]-2-octyloxane
CID 70617400
(2R,3S)-3-hept-3-enyl-2-octyloxane
CID 70617401
2-ethyl-4-methyl-3-(3,4,5-trimethyloctan-2-yloxy)-3,4-dihydro-2H-pyran
CID 71082384
4-Ethoxy-4-ethylheptadec-1-ene
CID 87296549
2-[4-[4-(Oxiran-2-yl)non-1-en-4-yloxy]non-1-en-4-yl]oxirane
CID 87783987
6-(2-Ethoxyethoxy)hept-1-en-3-ylcyclohexane
CID 88978928

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane?
The IUPAC name of 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane (CID 150521704) is 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane.
What is the SMILES notation for 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane?
The canonical SMILES for 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane is C=CCCCCC1(CC)OC(CC)C(CC)OC1CC.
What is the InChIKey of 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane?
The InChIKey is IBZIBVFSLQOGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-6-11-12-13-14-18(10-5)17(9-4)19-15(7-2)16(8-3)20-18/h6,15-17H,1,7-14H2,2-5H3.
What are the key properties of 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane?
2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane has a molecular weight of 282.47 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetraethyl-2-hex-5-enyl-1,4-dioxane is sourced from PubChem (CID 150521704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).