2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane

C20H42O5 — CID 87588712

IUPAC2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane
SMILESCCC(C)OC(C)(OC(C)CC)OC(C)(OC(C)CC)OC(C)CC
InChIInChI=1S/C20H42O5/c1-11-15(5)21-19(9,22-16(6)12-2)25-20(10,23-17(7)13-3)24-18(8)14-4/h15-18H,11-14H2,1-10H3
InChIKeyYMGIXEANXGXWHI-UHFFFAOYSA-N
MW362.55 g/mol
LogP5.61
Rot. Bonds14

About 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane

2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane (PubChem CID 87588712) has the molecular formula C20H42O5 and a molecular weight of 362.55 g/mol. Its IUPAC name is 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane.

Molecular Properties

Compound Name2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane
PubChem CID87588712
Molecular FormulaC20H42O5
Molecular Weight362.55 g/mol
Exact Mass362.30
IUPAC Name2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane
SMILESCCC(C)OC(C)(OC(C)CC)OC(C)(OC(C)CC)OC(C)CC
InChIInChI=1S/C20H42O5/c1-11-15(5)21-19(9,22-16(6)12-2)25-20(10,23-17(7)13-3)24-18(8)14-4/h15-18H,11-14H2,1-10H3
InChIKeyYMGIXEANXGXWHI-UHFFFAOYSA-N
XLogP5.61
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 58883808
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CID 62353421
2-(1-butan-2-yloxypropan-2-yloxy)propan-2-amine
CID 58427609
ethyl-methyl-bis[(2-methylpropan-2-yl)oxy]phosphanium
CID 23418603
butan-2-yloxy(dimethyl)silane
CID 123806179
azane;2-butan-2-yloxybutane
CID 87187028
butan-2-yloxymercury
CID 144602861
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
2-(4-butan-2-yloxy-2-methylpentan-2-yl)oxy-2-methyl-4-propan-2-yloxypentane
CID 123504643
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
CID 87070138
CID 173228118
CID 173228118

Frequently Asked Questions

What is the IUPAC name of 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane?
The IUPAC name of 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane (CID 87588712) is 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane.
What is the SMILES notation for 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane?
The canonical SMILES for 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane is CCC(C)OC(C)(OC(C)CC)OC(C)(OC(C)CC)OC(C)CC.
What is the InChIKey of 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane?
The InChIKey is YMGIXEANXGXWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O5/c1-11-15(5)21-19(9,22-16(6)12-2)25-20(10,23-17(7)13-3)24-18(8)14-4/h15-18H,11-14H2,1-10H3.
What are the key properties of 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane?
2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane has a molecular weight of 362.55 g/mol, XLogP of 5.61, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane is sourced from PubChem (CID 87588712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).