1-(1,2-diethoxyethoxy)hexane

C12H26O3 — CID 173222858

IUPAC1-(1,2-diethoxyethoxy)hexane
SMILESCCCCCCOC(COCC)OCC
InChIInChI=1S/C12H26O3/c1-4-7-8-9-10-15-12(14-6-3)11-13-5-2/h12H,4-11H2,1-3H3
InChIKeyVFRHJUNTHDCOBA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.98
Rot. Bonds11

About 1-(1,2-diethoxyethoxy)hexane

1-(1,2-diethoxyethoxy)hexane (PubChem CID 173222858) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(1,2-diethoxyethoxy)hexane.

Molecular Properties

Compound Name1-(1,2-diethoxyethoxy)hexane
PubChem CID173222858
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-(1,2-diethoxyethoxy)hexane
SMILESCCCCCCOC(COCC)OCC
InChIInChI=1S/C12H26O3/c1-4-7-8-9-10-15-12(14-6-3)11-13-5-2/h12H,4-11H2,1-3H3
InChIKeyVFRHJUNTHDCOBA-UHFFFAOYSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane
CID 154103874
1-(1,3,3-triethoxypropoxy)butane
CID 139631124
(1-ethoxy-2-icosoxyethyl) dihydrogen phosphate
CID 174480283
1-(1-propoxypropoxy)hexane
CID 89482622
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
(2-ethoxy-3-hexadecoxypropyl) methanesulfonate
CID 19965693
2-(1,2-dibutoxyethoxy)ethanol
CID 57055160
1-(ethoxymethoxy)-14,14-diheptoxytetradec-1-ene
CID 163205565
1-[7-(ethoxymethoxy)-1-octoxyhept-6-enoxy]octane
CID 162392537
1,1-dibutoxyoctane
CID 54557001

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diethoxyethoxy)hexane?
The IUPAC name of 1-(1,2-diethoxyethoxy)hexane (CID 173222858) is 1-(1,2-diethoxyethoxy)hexane.
What is the SMILES notation for 1-(1,2-diethoxyethoxy)hexane?
The canonical SMILES for 1-(1,2-diethoxyethoxy)hexane is CCCCCCOC(COCC)OCC.
What is the InChIKey of 1-(1,2-diethoxyethoxy)hexane?
The InChIKey is VFRHJUNTHDCOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-4-7-8-9-10-15-12(14-6-3)11-13-5-2/h12H,4-11H2,1-3H3.
What are the key properties of 1-(1,2-diethoxyethoxy)hexane?
1-(1,2-diethoxyethoxy)hexane has a molecular weight of 218.34 g/mol, XLogP of 2.98, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diethoxyethoxy)hexane is sourced from PubChem (CID 173222858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).