2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane

C15H34O4 — CID 162031327

IUPAC2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
SMILESCC(C)COCCOCC(C)C.COC(C)(C)OC
InChIInChI=1S/C10H22O2.C5H12O2/c1-9(2)7-11-5-6-12-8-10(3)4;1-5(2,6-3)7-4/h9-10H,5-8H2,1-4H3;1-4H3
InChIKeyYWBFSDIAAMXVSY-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.35
Rot. Bonds9

About 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane

2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane (PubChem CID 162031327) has the molecular formula C15H34O4 and a molecular weight of 278.43 g/mol. Its IUPAC name is 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane.

Molecular Properties

Compound Name2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
PubChem CID162031327
Molecular FormulaC15H34O4
Molecular Weight278.43 g/mol
Exact Mass278.25
IUPAC Name2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
SMILESCC(C)COCCOCC(C)C.COC(C)(C)OC
InChIInChI=1S/C10H22O2.C5H12O2/c1-9(2)7-11-5-6-12-8-10(3)4;1-5(2,6-3)7-4/h9-10H,5-8H2,1-4H3;1-4H3
InChIKeyYWBFSDIAAMXVSY-UHFFFAOYSA-N
XLogP3.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.35
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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Related Compounds

3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448661
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
1-(2-methoxypropan-2-ylperoxy)-3-methylbutane
CID 10997577
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropoxy)butane
CID 139316790
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate
CID 106448215
1-[(2-methylpropan-2-yl)oxy]-8-(2-methylpropoxy)octane
CID 173256840
methane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane
CID 158287890
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane?
The IUPAC name of 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane (CID 162031327) is 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane.
What is the SMILES notation for 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane?
The canonical SMILES for 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane is CC(C)COCCOCC(C)C.COC(C)(C)OC.
What is the InChIKey of 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane?
The InChIKey is YWBFSDIAAMXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C5H12O2/c1-9(2)7-11-5-6-12-8-10(3)4;1-5(2,6-3)7-4/h9-10H,5-8H2,1-4H3;1-4H3.
What are the key properties of 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane?
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane has a molecular weight of 278.43 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane is sourced from PubChem (CID 162031327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).