1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane

C12H26O4 — CID 20871491

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane
SMILESCOCCOCCOCCOCCC(C)C
InChIInChI=1S/C12H26O4/c1-12(2)4-5-14-8-9-16-11-10-15-7-6-13-3/h12H,4-11H2,1-3H3
InChIKeyGUSBELKTKMIGNM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.73
Rot. Bonds12

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane (PubChem CID 20871491) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane
PubChem CID20871491
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane
SMILESCOCCOCCOCCOCCC(C)C
InChIInChI=1S/C12H26O4/c1-12(2)4-5-14-8-9-16-11-10-15-7-6-13-3/h12H,4-11H2,1-3H3
InChIKeyGUSBELKTKMIGNM-UHFFFAOYSA-N
XLogP1.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.73
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

5,8,11,14-Tetraoxaoctadecane
CID 2733908
1-(1-Ethoxyethoxy)-3-methylbutane
CID 83466
1-Ethoxy-2-(2-methylpropoxy)ethane
CID 13445090
1,2-Bis(3-methylbutoxy)ethane
CID 19105354
Diisobutyl cellosolve
CID 21572610
3,6,9,12-Tetraoxahexadecane
CID 21319773
1-Ethoxy-2-(2-methylbutoxy)ethane
CID 57802127
1-[2-(2-Methylpropoxy)propoxy]butane
CID 58983398
2,5,8,11-Tetraoxapentadecane
CID 18344639
1-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]-3-methylbutane
CID 172123969
2-[2-(2-Isopentoxyethoxy)ethoxy]ethanol
CID 526875
2-(2-(2-Isopentoxy-ethoxy)-ethoxy)-ethoxy)-ethanol
CID 526876

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane (CID 20871491) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane is COCCOCCOCCOCCC(C)C.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane?
The InChIKey is GUSBELKTKMIGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-12(2)4-5-14-8-9-16-11-10-15-7-6-13-3/h12H,4-11H2,1-3H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane has a molecular weight of 234.34 g/mol, XLogP of 1.73, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbutane is sourced from PubChem (CID 20871491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).