1,4-bis(ethenoxy)butane;butane

C12H24O2 — CID 158192522

IUPAC1,4-bis(ethenoxy)butane;butane
SMILESC=COCCCCOC=C.CCCC
InChIInChI=1S/C8H14O2.C4H10/c1-3-9-7-5-6-8-10-4-2;1-3-4-2/h3-4H,1-2,5-8H2;3-4H2,1-2H3
InChIKeyFZYAOWGHHARUJQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.89
Rot. Bonds8

About 1,4-bis(ethenoxy)butane;butane

1,4-bis(ethenoxy)butane;butane (PubChem CID 158192522) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1,4-bis(ethenoxy)butane;butane.

Molecular Properties

Compound Name1,4-bis(ethenoxy)butane;butane
PubChem CID158192522
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1,4-bis(ethenoxy)butane;butane
SMILESC=COCCCCOC=C.CCCC
InChIInChI=1S/C8H14O2.C4H10/c1-3-9-7-5-6-8-10-4-2;1-3-4-2/h3-4H,1-2,5-8H2;3-4H2,1-2H3
InChIKeyFZYAOWGHHARUJQ-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethenoxytriacontane
CID 14647805
1-ethenoxybutane;hydrate
CID 174447139
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1,16-bis(ethenoxy)hexadecane
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1-ethenoxyhexane;hexan-1-amine
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5-ethenoxy-N,N-dipentylpentan-1-amine
CID 139652992
1-ethenoxy-3-methoxypropane
CID 22058891
4-ethenoxybutan-1-ol;ethenoxyethane
CID 175259302
1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-ethenoxy-3-propylsulfanylpropane
CID 102248162
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
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7-ethenoxyheptan-3-ol
CID 175035685

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenoxy)butane;butane?
The IUPAC name of 1,4-bis(ethenoxy)butane;butane (CID 158192522) is 1,4-bis(ethenoxy)butane;butane.
What is the SMILES notation for 1,4-bis(ethenoxy)butane;butane?
The canonical SMILES for 1,4-bis(ethenoxy)butane;butane is C=COCCCCOC=C.CCCC.
What is the InChIKey of 1,4-bis(ethenoxy)butane;butane?
The InChIKey is FZYAOWGHHARUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C4H10/c1-3-9-7-5-6-8-10-4-2;1-3-4-2/h3-4H,1-2,5-8H2;3-4H2,1-2H3.
What are the key properties of 1,4-bis(ethenoxy)butane;butane?
1,4-bis(ethenoxy)butane;butane has a molecular weight of 200.32 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenoxy)butane;butane is sourced from PubChem (CID 158192522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).