2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane

C28H52O2 — CID 151609727

IUPAC2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane
SMILESC=CCCCCCCC1(CC)OC(CC)C(CC)OC1(CC)CCCCCCC=C
InChIInChI=1S/C28H52O2/c1-7-13-15-17-19-21-23-27(11-5)28(12-6,24-22-20-18-16-14-8-2)30-26(10-4)25(9-3)29-27/h7-8,25-26H,1-2,9-24H2,3-6H3
InChIKeyQMFVVSBEZCPIPD-UHFFFAOYSA-N
MW420.72 g/mol
LogP8.94
Rot. Bonds18

About 2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane

2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane (PubChem CID 151609727) has the molecular formula C28H52O2 and a molecular weight of 420.72 g/mol. Its IUPAC name is 2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane.

Molecular Properties

Compound Name2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane
PubChem CID151609727
Molecular FormulaC28H52O2
Molecular Weight420.72 g/mol
Exact Mass420.40
IUPAC Name2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane
SMILESC=CCCCCCCC1(CC)OC(CC)C(CC)OC1(CC)CCCCCCC=C
InChIInChI=1S/C28H52O2/c1-7-13-15-17-19-21-23-27(11-5)28(12-6,24-22-20-18-16-14-8-2)30-26(10-4)25(9-3)29-27/h7-8,25-26H,1-2,9-24H2,3-6H3
InChIKeyQMFVVSBEZCPIPD-UHFFFAOYSA-N
XLogP8.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.72
LogP ≤ 58.94
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 2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane?
The IUPAC name of 2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane (CID 151609727) is 2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane.
What is the SMILES notation for 2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane?
The canonical SMILES for 2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane is C=CCCCCCCC1(CC)OC(CC)C(CC)OC1(CC)CCCCCCC=C.
What is the InChIKey of 2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane?
The InChIKey is QMFVVSBEZCPIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O2/c1-7-13-15-17-19-21-23-27(11-5)28(12-6,24-22-20-18-16-14-8-2)30-26(10-4)25(9-3)29-27/h7-8,25-26H,1-2,9-24H2,3-6H3.
What are the key properties of 2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane?
2,3,5,6-tetraethyl-2,3-bis(oct-7-enyl)-1,4-dioxane has a molecular weight of 420.72 g/mol, XLogP of 8.94, 18 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-2,3-bis(oct-7-enyl)-1,4-dioxane is sourced from PubChem (CID 151609727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).