2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane

C13H28O3 — CID 14292541

IUPAC2-[bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane
SMILESCC(C)(C)OC(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H28O3/c1-11(2,3)14-10(15-12(4,5)6)16-13(7,8)9/h10H,1-9H3
InChIKeyFRAXCQDHNVFZQW-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.00
Rot. Bonds6

About 2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane

2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane (PubChem CID 14292541) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-[bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane
PubChem CID14292541
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-[bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane
SMILESCC(C)(C)OC(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H28O3/c1-11(2,3)14-10(15-12(4,5)6)16-13(7,8)9/h10H,1-9H3
InChIKeyFRAXCQDHNVFZQW-UHFFFAOYSA-N
XLogP3.00
TPSA27.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity165

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
Carbonic acid, bis(1,1-dimethylethyl) ester
CID 10219638
Methane, tert-butoxymethoxy-
CID 542287
Methane, bis(neopentyloxy)-
CID 551333
2-(Propoxymethoxy)butane
CID 524897
Methane, di-tert-butoxy-
CID 545850
t-Butyloxymethyl ether
CID 21883412
Propane, 2,2-bis(tert-butyloxy)-
CID 22094240

Frequently Asked Questions

What is the IUPAC name of 2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane?
The IUPAC name of 2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane (CID 14292541) is 2-[bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane.
What is the SMILES notation for 2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane?
The canonical SMILES for 2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane is CC(C)(C)OC(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane?
The InChIKey is FRAXCQDHNVFZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-11(2,3)14-10(15-12(4,5)6)16-13(7,8)9/h10H,1-9H3.
What are the key properties of 2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane?
2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane has a molecular weight of 232.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[Bis[(2-methylpropan-2-yl)oxy]methoxy]-2-methylpropane is sourced from PubChem (CID 14292541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).