1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane

C13H28O4 — CID 57228754

IUPAC1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane
SMILESCCOCC(CC(C)(C)OCCOC)OCC
InChIInChI=1S/C13H28O4/c1-6-15-11-12(16-7-2)10-13(3,4)17-9-8-14-5/h12H,6-11H2,1-5H3
InChIKeyOGMXMAKZYHEMSQ-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.26
Rot. Bonds11

About 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane

1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane (PubChem CID 57228754) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane.

Molecular Properties

Compound Name1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane
PubChem CID57228754
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane
SMILESCCOCC(CC(C)(C)OCCOC)OCC
InChIInChI=1S/C13H28O4/c1-6-15-11-12(16-7-2)10-13(3,4)17-9-8-14-5/h12H,6-11H2,1-5H3
InChIKeyOGMXMAKZYHEMSQ-UHFFFAOYSA-N
XLogP2.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
2-(2-Fluoroethoxy)-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexane
CID 166880380
[4-(3-Methoxy-3-methylbutoxy)-4-methylpentyl] hypofluorite
CID 170030162
2,3,4,5-Tetramethoxy-2,5-dimethylhexane
CID 20759498
1,2-Diethoxy-3-(ethoxymethyl)pentane
CID 21051621
2-(2-Methylpentan-2-yloxymethyl)oxirane
CID 21122402
1-[2,3-Bis[2-(methoxymethyl)pentoxy]propoxy]-2-(methoxymethyl)pentane
CID 22081180
1,2,3-Trimethoxy-4-methylpentane
CID 23384640
1-(2,3-Dimethoxypropoxy)-2-methylpentane
CID 53876001
1-Butoxy-4-methyl-4-propan-2-yloxypentane
CID 54522845
1-(2-Hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol
CID 57138755
1,2-Bis(3,4-dimethoxybutoxy)-4,4-dimethylpentane
CID 58051576

Frequently Asked Questions

What is the IUPAC name of 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane?
The IUPAC name of 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane (CID 57228754) is 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane.
What is the SMILES notation for 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane?
The canonical SMILES for 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane is CCOCC(CC(C)(C)OCCOC)OCC.
What is the InChIKey of 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane?
The InChIKey is OGMXMAKZYHEMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-6-15-11-12(16-7-2)10-13(3,4)17-9-8-14-5/h12H,6-11H2,1-5H3.
What are the key properties of 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane?
1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane has a molecular weight of 248.36 g/mol, XLogP of 2.26, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethoxy-4-(2-methoxyethoxy)-4-methylpentane is sourced from PubChem (CID 57228754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).