1-[(2-methylpropan-2-yl)oxymethoxy]butane

C9H20O2 — CID 54296289

IUPAC1-[(2-methylpropan-2-yl)oxymethoxy]butane
SMILESCCCCOCOC(C)(C)C
InChIInChI=1S/C9H20O2/c1-5-6-7-10-8-11-9(2,3)4/h5-8H2,1-4H3
InChIKeyUJVQCKRTSYHSIV-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.58
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxymethoxy]butane

1-[(2-methylpropan-2-yl)oxymethoxy]butane (PubChem CID 54296289) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxymethoxy]butane.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxymethoxy]butane
PubChem CID54296289
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-[(2-methylpropan-2-yl)oxymethoxy]butane
SMILESCCCCOCOC(C)(C)C
InChIInChI=1S/C9H20O2/c1-5-6-7-10-8-11-9(2,3)4/h5-8H2,1-4H3
InChIKeyUJVQCKRTSYHSIV-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.58
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

Tripropyl orthoformate
CID 69311
Dibutoxymethane
CID 17379
2,2-Dibutoxypropane
CID 67335
Tri-n-butyl orthoformate
CID 68521
Propane, 2,2',2''-[methylidynetris(oxy)]tris-
CID 78191
Methane, di-sec-butoxy-
CID 17380
Methane, diisobutoxy-
CID 520226
Propane, 1,1',1''-[methylidynetris(oxy)]tris[2-methyl-
CID 545394
2-[Di(sec-butoxy)methoxy]butane
CID 546242
Methane, tert-butoxymethoxy-
CID 542287
Methane, bis(neopentyloxy)-
CID 551333
2-(Propoxymethoxy)butane
CID 524897

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxymethoxy]butane?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxymethoxy]butane (CID 54296289) is 1-[(2-methylpropan-2-yl)oxymethoxy]butane.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxymethoxy]butane?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxymethoxy]butane is CCCCOCOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxymethoxy]butane?
The InChIKey is UJVQCKRTSYHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-6-7-10-8-11-9(2,3)4/h5-8H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxymethoxy]butane?
1-[(2-methylpropan-2-yl)oxymethoxy]butane has a molecular weight of 160.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxymethoxy]butane is sourced from PubChem (CID 54296289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).