1-ethenoxy-3-methoxybutane

C7H14O2 — CID 21189117

IUPAC1-ethenoxy-3-methoxybutane
SMILESC=COCCC(C)OC
InChIInChI=1S/C7H14O2/c1-4-9-6-5-7(2)8-3/h4,7H,1,5-6H2,2-3H3
InChIKeyIDTAXBJMYOMSPU-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.57
Rot. Bonds5

About 1-ethenoxy-3-methoxybutane

1-ethenoxy-3-methoxybutane (PubChem CID 21189117) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-ethenoxy-3-methoxybutane.

Molecular Properties

Compound Name1-ethenoxy-3-methoxybutane
PubChem CID21189117
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name1-ethenoxy-3-methoxybutane
SMILESC=COCCC(C)OC
InChIInChI=1S/C7H14O2/c1-4-9-6-5-7(2)8-3/h4,7H,1,5-6H2,2-3H3
InChIKeyIDTAXBJMYOMSPU-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.57
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

Propane, 2-(ethenyloxy)-
CID 13557
2-(Ethenyloxy)butane
CID 13172912
4-Vinyloxybutan-2-ol
CID 15681594
1,3-Bis(ethenyloxy)butane
CID 14533870
3-Vinyloxybutan-1-ol
CID 15681593
Methoxypropyl vinyl ether
CID 22058891
(+)(s)-Secbutyl vinyl ether
CID 124418330
2-[(E)-2-methoxyethenoxy]propane
CID 102121602
2-[(Z)-2-methoxyethenoxy]propane
CID 102121603
2-(1-Ethenoxyethyl)oxirane
CID 18937463
1-[(E)-2-methoxyethenoxy]butane
CID 18988548
2-Ethenoxypentane
CID 19748709

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-methoxybutane?
The IUPAC name of 1-ethenoxy-3-methoxybutane (CID 21189117) is 1-ethenoxy-3-methoxybutane.
What is the SMILES notation for 1-ethenoxy-3-methoxybutane?
The canonical SMILES for 1-ethenoxy-3-methoxybutane is C=COCCC(C)OC.
What is the InChIKey of 1-ethenoxy-3-methoxybutane?
The InChIKey is IDTAXBJMYOMSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-9-6-5-7(2)8-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1-ethenoxy-3-methoxybutane?
1-ethenoxy-3-methoxybutane has a molecular weight of 130.19 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-methoxybutane is sourced from PubChem (CID 21189117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).