1-butoxy-1-(1-butoxybutoxy)butane

C16H34O3 — CID 121333025

IUPAC1-butoxy-1-(1-butoxybutoxy)butane
SMILESCCCCOC(CCC)OC(CCC)OCCCC
InChIInChI=1S/C16H34O3/c1-5-9-13-17-15(11-7-3)19-16(12-8-4)18-14-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyYYUILHBHMPSXIU-UHFFFAOYSA-N
MW274.44 g/mol
LogP4.89
Rot. Bonds14

About 1-butoxy-1-(1-butoxybutoxy)butane

1-butoxy-1-(1-butoxybutoxy)butane (PubChem CID 121333025) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 1-butoxy-1-(1-butoxybutoxy)butane.

Molecular Properties

Compound Name1-butoxy-1-(1-butoxybutoxy)butane
PubChem CID121333025
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name1-butoxy-1-(1-butoxybutoxy)butane
SMILESCCCCOC(CCC)OC(CCC)OCCCC
InChIInChI=1S/C16H34O3/c1-5-9-13-17-15(11-7-3)19-16(12-8-4)18-14-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyYYUILHBHMPSXIU-UHFFFAOYSA-N
XLogP4.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yloxy-1-butoxybutane
CID 19964023
1-(1-butoxybutoxy)propan-1-ol
CID 173130945
1-(1-butoxybutoxy)propane-1-thiol
CID 173191873
1,1,4,4-tetrabutoxybutane
CID 139887225
(4Z,14Z)-1-butoxy-1-[(4Z,14Z)-1-butoxynonadeca-4,14-dienoxy]nonadeca-4,14-diene
CID 175229325
1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222
1,1-dibutoxyoctane
CID 54557001
4,4-dibutoxybutyl-[4-(4,4-dibutoxybutylsilyl)butyl]silane
CID 123229038
1-butoxy-1-(1-butoxy-20-iodo-5,7,9,11,13,15,17-heptamethylicosoxy)-20-iodo-5,7,9,11,13,15,17-heptamethylicosane
CID 176549090
4,4-dibutoxybutan-1-amine
CID 173191974
1-(1,3,3-triethoxypropoxy)butane
CID 139631124
2-butoxyhexane;ethane
CID 144590910

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-1-(1-butoxybutoxy)butane?
The IUPAC name of 1-butoxy-1-(1-butoxybutoxy)butane (CID 121333025) is 1-butoxy-1-(1-butoxybutoxy)butane.
What is the SMILES notation for 1-butoxy-1-(1-butoxybutoxy)butane?
The canonical SMILES for 1-butoxy-1-(1-butoxybutoxy)butane is CCCCOC(CCC)OC(CCC)OCCCC.
What is the InChIKey of 1-butoxy-1-(1-butoxybutoxy)butane?
The InChIKey is YYUILHBHMPSXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-5-9-13-17-15(11-7-3)19-16(12-8-4)18-14-10-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 1-butoxy-1-(1-butoxybutoxy)butane?
1-butoxy-1-(1-butoxybutoxy)butane has a molecular weight of 274.44 g/mol, XLogP of 4.89, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-1-(1-butoxybutoxy)butane is sourced from PubChem (CID 121333025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).