2-(propoxymethoxy)butane

C8H18O2 — CID 524897

IUPAC2-(propoxymethoxy)butane
SMILESCCCOCOC(C)CC
InChIInChI=1S/C8H18O2/c1-4-6-9-7-10-8(3)5-2/h8H,4-7H2,1-3H3
InChIKeyNPFCLWSPJBPJHY-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.19
Rot. Bonds6

About 2-(propoxymethoxy)butane

2-(propoxymethoxy)butane (PubChem CID 524897) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-(propoxymethoxy)butane.

Molecular Properties

Compound Name2-(propoxymethoxy)butane
PubChem CID524897
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-(propoxymethoxy)butane
SMILESCCCOCOC(C)CC
InChIInChI=1S/C8H18O2/c1-4-6-9-7-10-8(3)5-2/h8H,4-7H2,1-3H3
InChIKeyNPFCLWSPJBPJHY-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-Dipropoxyethane
CID 66929
Tripropyl orthoformate
CID 69311
Dipropoxymethane
CID 68165
Acetaldehyde ethyl isopropyl acetal, (+-)-
CID 91409
1,1,3-Triethoxybutane
CID 22163
Dibutoxymethane
CID 17379
2,2-Dibutoxypropane
CID 67335
Tri-n-butyl orthoformate
CID 68521
Propane, 2,2',2''-[methylidynetris(oxy)]tris-
CID 78191
Propane, 2,2'-(ethylidenebis(oxy))bis-
CID 138176
1,1-Dipropoxypropane
CID 521219
Methane, di-sec-butoxy-
CID 17380

Frequently Asked Questions

What is the IUPAC name of 2-(propoxymethoxy)butane?
The IUPAC name of 2-(propoxymethoxy)butane (CID 524897) is 2-(propoxymethoxy)butane.
What is the SMILES notation for 2-(propoxymethoxy)butane?
The canonical SMILES for 2-(propoxymethoxy)butane is CCCOCOC(C)CC.
What is the InChIKey of 2-(propoxymethoxy)butane?
The InChIKey is NPFCLWSPJBPJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-4-6-9-7-10-8(3)5-2/h8H,4-7H2,1-3H3.
What are the key properties of 2-(propoxymethoxy)butane?
2-(propoxymethoxy)butane has a molecular weight of 146.23 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethoxy)butane is sourced from PubChem (CID 524897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).