1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane

C12H26O3 — CID 165154265

IUPAC1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
SMILESCCCCCOC(CC)COCCOC
InChIInChI=1S/C12H26O3/c1-4-6-7-8-15-12(5-2)11-14-10-9-13-3/h12H,4-11H2,1-3H3
InChIKeyCWJYURCLZRLYOS-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.63
Rot. Bonds11

About 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane

1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane (PubChem CID 165154265) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane.

Molecular Properties

Compound Name1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
PubChem CID165154265
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
SMILESCCCCCOC(CC)COCCOC
InChIInChI=1S/C12H26O3/c1-4-6-7-8-15-12(5-2)11-14-10-9-13-3/h12H,4-11H2,1-3H3
InChIKeyCWJYURCLZRLYOS-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-pentan-3-yloxydecane
CID 173279604
1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane
CID 102089285
4-[2-[2-[1-[2-[2-[2,3-bis[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethoxy]butan-2-yloxy]ethoxy]ethoxy]-1,2-bis[2-(2-methoxyethoxy)ethoxy]butane;methanethiol
CID 157198913
2-[2-butoxy-3-(2,3-dibutoxypropoxy)propoxy]-1-(2,3-dibutoxypropoxy)butane
CID 157319406
[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 170658360
2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate
CID 170658328
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
CID 158254668
1-(2-butoxybutoxy)-17-methyloctadecane
CID 126586639
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane?
The IUPAC name of 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane (CID 165154265) is 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane.
What is the SMILES notation for 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane?
The canonical SMILES for 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane is CCCCCOC(CC)COCCOC.
What is the InChIKey of 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane?
The InChIKey is CWJYURCLZRLYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-4-6-7-8-15-12(5-2)11-14-10-9-13-3/h12H,4-11H2,1-3H3.
What are the key properties of 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane?
1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane has a molecular weight of 218.34 g/mol, XLogP of 2.63, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane is sourced from PubChem (CID 165154265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).