1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane

C12H22O6 — CID 141154054

IUPAC1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane
SMILESCCCOCCOCCOCCOCC12OC1O2
InChIInChI=1S/C12H22O6/c1-2-3-13-4-5-14-6-7-15-8-9-16-10-12-11(17-12)18-12/h11H,2-10H2,1H3
InChIKeyFIBJDTUDTYXLES-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.55
Rot. Bonds13

About 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane

1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane (PubChem CID 141154054) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane
PubChem CID141154054
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane
SMILESCCCOCCOCCOCCOCC12OC1O2
InChIInChI=1S/C12H22O6/c1-2-3-13-4-5-14-6-7-15-8-9-16-10-12-11(17-12)18-12/h11H,2-10H2,1H3
InChIKeyFIBJDTUDTYXLES-UHFFFAOYSA-N
XLogP0.55
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(2-propoxyethoxymethyl)oxirane
CID 59969166
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
ethane;1-(2-propoxyethoxy)butane
CID 164535746
CID 59269676
CID 59269676
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol
CID 140564246
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
ethane;propane;1-propoxypropane
CID 143757970
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
azane;1-propoxybutane
CID 87292575
methane;1-propoxybutane
CID 162202436
2-butoxyethoxy-dimethyl-(2-propoxyethoxy)silane
CID 91522026

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane?
The IUPAC name of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane (CID 141154054) is 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane.
What is the SMILES notation for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane?
The canonical SMILES for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane is CCCOCCOCCOCCOCC12OC1O2.
What is the InChIKey of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane?
The InChIKey is FIBJDTUDTYXLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-2-3-13-4-5-14-6-7-15-8-9-16-10-12-11(17-12)18-12/h11H,2-10H2,1H3.
What are the key properties of 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane?
1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane has a molecular weight of 262.30 g/mol, XLogP of 0.55, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]-2,4-dioxabicyclo[1.1.0]butane is sourced from PubChem (CID 141154054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).