1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane

C12H26O2 — CID 142260461

IUPAC1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane
SMILESCCCCOCC(CC)OC(C)(C)C
InChIInChI=1S/C12H26O2/c1-6-8-9-13-10-11(7-2)14-12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyWMTWMQMCJHTWPJ-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds7

About 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane

1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 142260461) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane
PubChem CID142260461
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane
SMILESCCCCOCC(CC)OC(C)(C)C
InChIInChI=1S/C12H26O2/c1-6-8-9-13-10-11(7-2)14-12(3,4)5/h11H,6-10H2,1-5H3
InChIKeyWMTWMQMCJHTWPJ-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-butoxy-3-(2,3-dibutoxypropoxy)propoxy]-1-(2,3-dibutoxypropoxy)butane
CID 157319406
1-(2-butoxybutoxy)-17-methyloctadecane
CID 126586639
(2R)-1-butoxybutan-2-ol
CID 27255938
19-[(2-methylpropan-2-yl)oxy]heptatriacontane
CID 164814152
1-butoxybutan-2-yl carbamate
CID 153396389
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
1-(1-butoxypropan-2-yloxy)-2-ethoxybutane
CID 157107296
1,2-dibutoxyhexane
CID 19805858
1,3-dibutoxypropan-2-ylhydrazine
CID 89380830
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
(2S)-1-butoxypropan-2-ol
CID 54289557
1-(3-methoxy-2-propoxypropoxy)butane
CID 90999549

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane (CID 142260461) is 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane is CCCCOCC(CC)OC(C)(C)C.
What is the InChIKey of 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is WMTWMQMCJHTWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-8-9-13-10-11(7-2)14-12(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane?
1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 142260461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).