1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane

C12H26O3 — CID 89011685

IUPAC1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane
SMILESCCOCC(COCC)COC(C)(C)C
InChIInChI=1S/C12H26O3/c1-6-13-8-11(9-14-7-2)10-15-12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyRMYXVUWJBNRSMB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.49
Rot. Bonds8

About 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane

1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 89011685) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Name1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane
PubChem CID89011685
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane
SMILESCCOCC(COCC)COC(C)(C)C
InChIInChI=1S/C12H26O3/c1-6-13-8-11(9-14-7-2)10-15-12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyRMYXVUWJBNRSMB-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethoxymethyl)-3-methoxypropoxy]-2-methylbutane
CID 123711604
[1-ethoxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105321343
2-(2,2-diethoxyethoxy)-2-methylpropane
CID 63628405
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-(ethoxymethoxymethoxymethoxy)-2-methylpropane
CID 88544063
1,3-diethoxy-3-methylbutan-2-amine
CID 116726159
tert-butyl 2-(ethoxymethyl)-3,3-dimethylbutanoate
CID 139783309
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
CID 134453133
4-(ethoxymethyl)-2-methylhexane
CID 157265485
(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane (CID 89011685) is 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane is CCOCC(COCC)COC(C)(C)C.
What is the InChIKey of 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is RMYXVUWJBNRSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-6-13-8-11(9-14-7-2)10-15-12(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane?
1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 218.34 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 89011685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).