methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane

C16H38O4 — CID 159716296

IUPACmethane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane
SMILESC.CC(C)OCCOC(C)C.CC(C)OCOC(C)C
InChIInChI=1S/C8H18O2.C7H16O2.CH4/c1-7(2)9-5-6-10-8(3)4;1-6(2)8-5-9-7(3)4;/h7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;1H4
InChIKeyMZMAOQZAOYNBBZ-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.27
Rot. Bonds9

About methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane

methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane (PubChem CID 159716296) has the molecular formula C16H38O4 and a molecular weight of 294.48 g/mol. Its IUPAC name is methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane.

Molecular Properties

Compound Namemethane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane
PubChem CID159716296
Molecular FormulaC16H38O4
Molecular Weight294.48 g/mol
Exact Mass294.28
IUPAC Namemethane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane
SMILESC.CC(C)OCCOC(C)C.CC(C)OCOC(C)C
InChIInChI=1S/C8H18O2.C7H16O2.CH4/c1-7(2)9-5-6-10-8(3)4;1-6(2)8-5-9-7(3)4;/h7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;1H4
InChIKeyMZMAOQZAOYNBBZ-UHFFFAOYSA-N
XLogP4.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane?
The IUPAC name of methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane (CID 159716296) is methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane.
What is the SMILES notation for methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane?
The canonical SMILES for methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane is C.CC(C)OCCOC(C)C.CC(C)OCOC(C)C.
What is the InChIKey of methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane?
The InChIKey is MZMAOQZAOYNBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2.C7H16O2.CH4/c1-7(2)9-5-6-10-8(3)4;1-6(2)8-5-9-7(3)4;/h7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;1H4.
What are the key properties of methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane?
methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane has a molecular weight of 294.48 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(2-propan-2-yloxyethoxy)propane;2-(propan-2-yloxymethoxy)propane is sourced from PubChem (CID 159716296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).