1-but-2-enoxybutane

C8H16O — CID 543904

IUPAC1-but-2-enoxybutane
SMILESCC=CCOCCCC
InChIInChI=1S/C8H16O/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-8H2,1-2H3
InChIKeyDVSSQJKZHTWMOS-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds5

About 1-but-2-enoxybutane

1-but-2-enoxybutane (PubChem CID 543904) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-but-2-enoxybutane.

Molecular Properties

Compound Name1-but-2-enoxybutane
PubChem CID543904
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-but-2-enoxybutane
SMILESCC=CCOCCCC
InChIInChI=1S/C8H16O/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-8H2,1-2H3
InChIKeyDVSSQJKZHTWMOS-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986
1,6-bis(but-2-enoxy)hexane
CID 173425920
(Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine
CID 126607431
4-but-2-enoxy-N-methylbutan-1-amine
CID 76943501
(Z)-1-butoxy-4-chlorobut-2-ene
CID 14686667
1-[(2E,4E)-hexa-2,4-dienoxy]octane
CID 122683183
N-(2-but-2-enoxyethyl)propan-1-amine
CID 76940105
5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116
4-(2-butoxyethoxy)but-2-en-1-amine
CID 77110139
(E)-4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]but-2-ene-1-thiol
CID 104568095
3-butoxy-N-ethylprop-1-en-1-amine
CID 150350485

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxybutane?
The IUPAC name of 1-but-2-enoxybutane (CID 543904) is 1-but-2-enoxybutane.
What is the SMILES notation for 1-but-2-enoxybutane?
The canonical SMILES for 1-but-2-enoxybutane is CC=CCOCCCC.
What is the InChIKey of 1-but-2-enoxybutane?
The InChIKey is DVSSQJKZHTWMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-8H2,1-2H3.
What are the key properties of 1-but-2-enoxybutane?
1-but-2-enoxybutane has a molecular weight of 128.21 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxybutane is sourced from PubChem (CID 543904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).