2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane

C20H36O2 — CID 151421336

IUPAC2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane
SMILESC=CCCCCC1(C)OC(C)C(C)OC1(C)CCCCC=C
InChIInChI=1S/C20H36O2/c1-7-9-11-13-15-19(5)20(6,16-14-12-10-8-2)22-18(4)17(3)21-19/h7-8,17-18H,1-2,9-16H2,3-6H3
InChIKeyPAPHMWIDMXTTJH-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.82
Rot. Bonds10

About 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane

2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane (PubChem CID 151421336) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane.

Molecular Properties

Compound Name2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane
PubChem CID151421336
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane
SMILESC=CCCCCC1(C)OC(C)C(C)OC1(C)CCCCC=C
InChIInChI=1S/C20H36O2/c1-7-9-11-13-15-19(5)20(6,16-14-12-10-8-2)22-18(4)17(3)21-19/h7-8,17-18H,1-2,9-16H2,3-6H3
InChIKeyPAPHMWIDMXTTJH-UHFFFAOYSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.82
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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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
The IUPAC name of 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane (CID 151421336) is 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane.
What is the SMILES notation for 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
The canonical SMILES for 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane is C=CCCCCC1(C)OC(C)C(C)OC1(C)CCCCC=C.
What is the InChIKey of 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
The InChIKey is PAPHMWIDMXTTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-7-9-11-13-15-19(5)20(6,16-14-12-10-8-2)22-18(4)17(3)21-19/h7-8,17-18H,1-2,9-16H2,3-6H3.
What are the key properties of 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane?
2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane has a molecular weight of 308.51 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(hex-5-enyl)-2,3,5,6-tetramethyl-1,4-dioxane is sourced from PubChem (CID 151421336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).