1,2-dimethoxyethane;1-hexoxyhexane

C16H36O3 — CID 174800290

IUPAC1,2-dimethoxyethane;1-hexoxyhexane
SMILESCCCCCCOCCCCCC.COCCOC
InChIInChI=1S/C12H26O.C4H10O2/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-5-3-4-6-2/h3-12H2,1-2H3;3-4H2,1-2H3
InChIKeyWLVCCLGFFXCNMS-UHFFFAOYSA-N
MW276.46 g/mol
LogP4.44
Rot. Bonds13

About 1,2-dimethoxyethane;1-hexoxyhexane

1,2-dimethoxyethane;1-hexoxyhexane (PubChem CID 174800290) has the molecular formula C16H36O3 and a molecular weight of 276.46 g/mol. Its IUPAC name is 1,2-dimethoxyethane;1-hexoxyhexane.

Molecular Properties

Compound Name1,2-dimethoxyethane;1-hexoxyhexane
PubChem CID174800290
Molecular FormulaC16H36O3
Molecular Weight276.46 g/mol
Exact Mass276.27
IUPAC Name1,2-dimethoxyethane;1-hexoxyhexane
SMILESCCCCCCOCCCCCC.COCCOC
InChIInChI=1S/C12H26O.C4H10O2/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-5-3-4-6-2/h3-12H2,1-2H3;3-4H2,1-2H3
InChIKeyWLVCCLGFFXCNMS-UHFFFAOYSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;1-hexoxyhexane?
The IUPAC name of 1,2-dimethoxyethane;1-hexoxyhexane (CID 174800290) is 1,2-dimethoxyethane;1-hexoxyhexane.
What is the SMILES notation for 1,2-dimethoxyethane;1-hexoxyhexane?
The canonical SMILES for 1,2-dimethoxyethane;1-hexoxyhexane is CCCCCCOCCCCCC.COCCOC.
What is the InChIKey of 1,2-dimethoxyethane;1-hexoxyhexane?
The InChIKey is WLVCCLGFFXCNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C4H10O2/c1-3-5-7-9-11-13-12-10-8-6-4-2;1-5-3-4-6-2/h3-12H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;1-hexoxyhexane?
1,2-dimethoxyethane;1-hexoxyhexane has a molecular weight of 276.46 g/mol, XLogP of 4.44, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;1-hexoxyhexane is sourced from PubChem (CID 174800290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).