1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane

C17H38O4 — CID 174801496

IUPAC1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
SMILESCCCCOC.CCCCOCCOCCOCCCC
InChIInChI=1S/C12H26O3.C5H12O/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;1-3-4-5-6-2/h3-12H2,1-2H3;3-5H2,1-2H3
InChIKeyVNCVDICDDFKIOL-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.07
Rot. Bonds15

About 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane

1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane (PubChem CID 174801496) has the molecular formula C17H38O4 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
PubChem CID174801496
Molecular FormulaC17H38O4
Molecular Weight306.49 g/mol
Exact Mass306.28
IUPAC Name1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
SMILESCCCCOC.CCCCOCCOCCOCCCC
InChIInChI=1S/C12H26O3.C5H12O/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;1-3-4-5-6-2/h3-12H2,1-2H3;3-5H2,1-2H3
InChIKeyVNCVDICDDFKIOL-UHFFFAOYSA-N
XLogP4.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.07
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

1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-butoxy-4-methoxybutane
CID 13082830
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
1-butoxybutane;methoxymethane
CID 18401298
1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151811497
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
methane;1-(2-methoxyethoxy)butane;propan-1-ol
CID 167623452
1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane
CID 175360949
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane (CID 174801496) is 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane is CCCCOC.CCCCOCCOCCOCCCC.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane?
The InChIKey is VNCVDICDDFKIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3.C5H12O/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;1-3-4-5-6-2/h3-12H2,1-2H3;3-5H2,1-2H3.
What are the key properties of 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane?
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane has a molecular weight of 306.49 g/mol, XLogP of 4.07, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane is sourced from PubChem (CID 174801496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).