2,6-bis(dodecoxymethyl)-1,4-dioxane

C30H60O4 — CID 102503565

IUPAC2,6-bis(dodecoxymethyl)-1,4-dioxane
SMILESCCCCCCCCCCCCOCC1COCC(COCCCCCCCCCCCC)O1
InChIInChI=1S/C30H60O4/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-29-27-33-28-30(34-29)26-32-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
InChIKeyAUONREFRDCFFFN-UHFFFAOYSA-N
MW484.81 g/mol
LogP8.65
Rot. Bonds26

About 2,6-bis(dodecoxymethyl)-1,4-dioxane

2,6-bis(dodecoxymethyl)-1,4-dioxane (PubChem CID 102503565) has the molecular formula C30H60O4 and a molecular weight of 484.81 g/mol. Its IUPAC name is 2,6-bis(dodecoxymethyl)-1,4-dioxane.

Molecular Properties

Compound Name2,6-bis(dodecoxymethyl)-1,4-dioxane
PubChem CID102503565
Molecular FormulaC30H60O4
Molecular Weight484.81 g/mol
Exact Mass484.45
IUPAC Name2,6-bis(dodecoxymethyl)-1,4-dioxane
SMILESCCCCCCCCCCCCOCC1COCC(COCCCCCCCCCCCC)O1
InChIInChI=1S/C30H60O4/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-29-27-33-28-30(34-29)26-32-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3
InChIKeyAUONREFRDCFFFN-UHFFFAOYSA-N
XLogP8.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
[(2S,5S)-5-(octadecoxymethyl)oxolan-2-yl]methylazanium
CID 140746023
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442
[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol
CID 129383460
2-(hexadecoxymethyl)-5-methyloxolane
CID 68865458

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(dodecoxymethyl)-1,4-dioxane?
The IUPAC name of 2,6-bis(dodecoxymethyl)-1,4-dioxane (CID 102503565) is 2,6-bis(dodecoxymethyl)-1,4-dioxane.
What is the SMILES notation for 2,6-bis(dodecoxymethyl)-1,4-dioxane?
The canonical SMILES for 2,6-bis(dodecoxymethyl)-1,4-dioxane is CCCCCCCCCCCCOCC1COCC(COCCCCCCCCCCCC)O1.
What is the InChIKey of 2,6-bis(dodecoxymethyl)-1,4-dioxane?
The InChIKey is AUONREFRDCFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O4/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-29-27-33-28-30(34-29)26-32-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3.
What are the key properties of 2,6-bis(dodecoxymethyl)-1,4-dioxane?
2,6-bis(dodecoxymethyl)-1,4-dioxane has a molecular weight of 484.81 g/mol, XLogP of 8.65, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(dodecoxymethyl)-1,4-dioxane is sourced from PubChem (CID 102503565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).