2-methoxybutane;1-methoxybutan-2-ol;methoxyethane

C13H32O4 — CID 158419492

IUPAC2-methoxybutane;1-methoxybutan-2-ol;methoxyethane
SMILESCCC(C)OC.CCC(O)COC.CCOC
InChIInChI=1S/C5H12O2.C5H12O.C3H8O/c1-3-5(6)4-7-2;1-4-5(2)6-3;1-3-4-2/h5-6H,3-4H2,1-2H3;5H,4H2,1-3H3;3H2,1-2H3
InChIKeyHAHXAPATBBMYHN-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.49
Rot. Bonds6

About 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane

2-methoxybutane;1-methoxybutan-2-ol;methoxyethane (PubChem CID 158419492) has the molecular formula C13H32O4 and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane.

Molecular Properties

Compound Name2-methoxybutane;1-methoxybutan-2-ol;methoxyethane
PubChem CID158419492
Molecular FormulaC13H32O4
Molecular Weight252.39 g/mol
Exact Mass252.23
IUPAC Name2-methoxybutane;1-methoxybutan-2-ol;methoxyethane
SMILESCCC(C)OC.CCC(O)COC.CCOC
InChIInChI=1S/C5H12O2.C5H12O.C3H8O/c1-3-5(6)4-7-2;1-4-5(2)6-3;1-3-4-2/h5-6H,3-4H2,1-2H3;5H,4H2,1-3H3;3H2,1-2H3
InChIKeyHAHXAPATBBMYHN-UHFFFAOYSA-N
XLogP2.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methane;1-methoxybutan-2-ol
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CID 20834285
methane;2-methoxybutane
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methanol;5-methoxyhexan-3-ol
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1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
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4-ethoxy-1-methoxy-4-methylpentan-2-ol
CID 123443341
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
1-fluoro-3-methoxypropan-2-ol
CID 53422469
8-methoxynonan-3-ol
CID 140998506
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
2-methoxybutane;methoxymethane;(E)-1-methoxy-2-methylhex-4-en-3-ol;3-methylpentane
CID 161286497

Frequently Asked Questions

What is the IUPAC name of 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane?
The IUPAC name of 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane (CID 158419492) is 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane.
What is the SMILES notation for 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane?
The canonical SMILES for 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane is CCC(C)OC.CCC(O)COC.CCOC.
What is the InChIKey of 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane?
The InChIKey is HAHXAPATBBMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.C5H12O.C3H8O/c1-3-5(6)4-7-2;1-4-5(2)6-3;1-3-4-2/h5-6H,3-4H2,1-2H3;5H,4H2,1-3H3;3H2,1-2H3.
What are the key properties of 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane?
2-methoxybutane;1-methoxybutan-2-ol;methoxyethane has a molecular weight of 252.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybutane;1-methoxybutan-2-ol;methoxyethane is sourced from PubChem (CID 158419492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).