1-[dibutoxy(tributoxymethoxy)methoxy]butane

C26H54O7 — CID 150729336

IUPAC1-[dibutoxy(tributoxymethoxy)methoxy]butane
SMILESCCCCOC(OCCCC)(OCCCC)OC(OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C26H54O7/c1-7-13-19-27-25(28-20-14-8-2,29-21-15-9-3)33-26(30-22-16-10-4,31-23-17-11-5)32-24-18-12-6/h7-24H2,1-6H3
InChIKeyJRMXUUZDYMKHBV-UHFFFAOYSA-N
MW478.71 g/mol
LogP7.13
Rot. Bonds26

About 1-[dibutoxy(tributoxymethoxy)methoxy]butane

1-[dibutoxy(tributoxymethoxy)methoxy]butane (PubChem CID 150729336) has the molecular formula C26H54O7 and a molecular weight of 478.71 g/mol. Its IUPAC name is 1-[dibutoxy(tributoxymethoxy)methoxy]butane.

Molecular Properties

Compound Name1-[dibutoxy(tributoxymethoxy)methoxy]butane
PubChem CID150729336
Molecular FormulaC26H54O7
Molecular Weight478.71 g/mol
Exact Mass478.39
IUPAC Name1-[dibutoxy(tributoxymethoxy)methoxy]butane
SMILESCCCCOC(OCCCC)(OCCCC)OC(OCCCC)(OCCCC)OCCCC
InChIInChI=1S/C26H54O7/c1-7-13-19-27-25(28-20-14-8-2,29-21-15-9-3)33-26(30-22-16-10-4,31-23-17-11-5)32-24-18-12-6/h7-24H2,1-6H3
InChIKeyJRMXUUZDYMKHBV-UHFFFAOYSA-N
XLogP7.13
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.71
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

[butoxy(diethoxy)methyl]silane
CID 3022902
trioctoxymethoxyphosphane
CID 175426752
5,5-dibutoxynonane
CID 89440038
1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane
CID 22916515
1-butoxypropane-1,1-diamine
CID 87535027
boranuide;trimethyl(tributoxymethyl)azanium
CID 175509370
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539
2,2-dibutoxypropan-1-ol
CID 145497919
hafnium;2,2,2-tributoxyethanol
CID 175773541
(2,2-dibutoxy-2-methoxyethoxy)silane
CID 123763254
3-butoxy-3-ethyloctane
CID 156635634
1-(1,1,2,2-tetrabromoethoxy)butane
CID 134894303

Frequently Asked Questions

What is the IUPAC name of 1-[dibutoxy(tributoxymethoxy)methoxy]butane?
The IUPAC name of 1-[dibutoxy(tributoxymethoxy)methoxy]butane (CID 150729336) is 1-[dibutoxy(tributoxymethoxy)methoxy]butane.
What is the SMILES notation for 1-[dibutoxy(tributoxymethoxy)methoxy]butane?
The canonical SMILES for 1-[dibutoxy(tributoxymethoxy)methoxy]butane is CCCCOC(OCCCC)(OCCCC)OC(OCCCC)(OCCCC)OCCCC.
What is the InChIKey of 1-[dibutoxy(tributoxymethoxy)methoxy]butane?
The InChIKey is JRMXUUZDYMKHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O7/c1-7-13-19-27-25(28-20-14-8-2,29-21-15-9-3)33-26(30-22-16-10-4,31-23-17-11-5)32-24-18-12-6/h7-24H2,1-6H3.
What are the key properties of 1-[dibutoxy(tributoxymethoxy)methoxy]butane?
1-[dibutoxy(tributoxymethoxy)methoxy]butane has a molecular weight of 478.71 g/mol, XLogP of 7.13, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dibutoxy(tributoxymethoxy)methoxy]butane is sourced from PubChem (CID 150729336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).