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

C24H44O2 — CID 150790956

IUPAC2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane
SMILESC=CCCCCCCC1(C)OC(C)C(C)OC1(C)CCCCCCC=C
InChIInChI=1S/C24H44O2/c1-7-9-11-13-15-17-19-23(5)24(6,26-22(4)21(3)25-23)20-18-16-14-12-10-8-2/h7-8,21-22H,1-2,9-20H2,3-6H3
InChIKeyKDVMLVNAMGTTIC-UHFFFAOYSA-N
MW364.61 g/mol
LogP7.38
Rot. Bonds14

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

2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane (PubChem CID 150790956) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane
PubChem CID150790956
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane
SMILESC=CCCCCCCC1(C)OC(C)C(C)OC1(C)CCCCCCC=C
InChIInChI=1S/C24H44O2/c1-7-9-11-13-15-17-19-23(5)24(6,26-22(4)21(3)25-23)20-18-16-14-12-10-8-2/h7-8,21-22H,1-2,9-20H2,3-6H3
InChIKeyKDVMLVNAMGTTIC-UHFFFAOYSA-N
XLogP7.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 57.38
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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CID 57129285
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CID 20430925
(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
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CID 68215176
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CID 71082384
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CID 88352429
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CID 88352463
(3S)-4-[(4S,7R,8S)-7-butoxy-8-methoxynon-1-en-4-yl]-1,7-dioxaspiro[2.5]octane
CID 88352604
6-(2-Ethoxyethoxy)hept-1-en-3-ylcyclohexane
CID 88978928
12-(3-Methoxybutoxy)-12-methyltridec-1-ene
CID 89045389
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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane?
The IUPAC name of 2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane (CID 150790956) is 2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane.
What is the SMILES notation for 2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane?
The canonical SMILES for 2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane is C=CCCCCCCC1(C)OC(C)C(C)OC1(C)CCCCCCC=C.
What is the InChIKey of 2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane?
The InChIKey is KDVMLVNAMGTTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2/c1-7-9-11-13-15-17-19-23(5)24(6,26-22(4)21(3)25-23)20-18-16-14-12-10-8-2/h7-8,21-22H,1-2,9-20H2,3-6H3.
What are the key properties of 2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane?
2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane has a molecular weight of 364.61 g/mol, XLogP of 7.38, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-2,3-bis(oct-7-enyl)-1,4-dioxane is sourced from PubChem (CID 150790956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).