4,4-dimethoxyoxane

C7H14O3 — CID 3350716

IUPAC4,4-dimethoxyoxane
SMILESCOC1(OC)CCOCC1
InChIInChI=1S/C7H14O3/c1-8-7(9-2)3-5-10-6-4-7/h3-6H2,1-2H3
InChIKeyFBZWVZPRCICVPX-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.79
Rot. Bonds2

About 4,4-dimethoxyoxane

4,4-dimethoxyoxane (PubChem CID 3350716) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4,4-dimethoxyoxane.

Molecular Properties

Compound Name4,4-dimethoxyoxane
PubChem CID3350716
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name4,4-dimethoxyoxane
SMILESCOC1(OC)CCOCC1
InChIInChI=1S/C7H14O3/c1-8-7(9-2)3-5-10-6-4-7/h3-6H2,1-2H3
InChIKeyFBZWVZPRCICVPX-UHFFFAOYSA-N
XLogP0.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxyoxane?
The IUPAC name of 4,4-dimethoxyoxane (CID 3350716) is 4,4-dimethoxyoxane.
What is the SMILES notation for 4,4-dimethoxyoxane?
The canonical SMILES for 4,4-dimethoxyoxane is COC1(OC)CCOCC1.
What is the InChIKey of 4,4-dimethoxyoxane?
The InChIKey is FBZWVZPRCICVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-8-7(9-2)3-5-10-6-4-7/h3-6H2,1-2H3.
What are the key properties of 4,4-dimethoxyoxane?
4,4-dimethoxyoxane has a molecular weight of 146.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxyoxane is sourced from PubChem (CID 3350716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).