but-3-enoxycyclobutane

C8H14O — CID 130057115

IUPACbut-3-enoxycyclobutane
SMILESC=CCCOC1CCC1
InChIInChI=1S/C8H14O/c1-2-3-7-9-8-5-4-6-8/h2,8H,1,3-7H2
InChIKeyGDOZNUIHSRHFBT-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds4

About but-3-enoxycyclobutane

but-3-enoxycyclobutane (PubChem CID 130057115) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is but-3-enoxycyclobutane.

Molecular Properties

Compound Namebut-3-enoxycyclobutane
PubChem CID130057115
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namebut-3-enoxycyclobutane
SMILESC=CCCOC1CCC1
InChIInChI=1S/C8H14O/c1-2-3-7-9-8-5-4-6-8/h2,8H,1,3-7H2
InChIKeyGDOZNUIHSRHFBT-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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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Frequently Asked Questions

What is the IUPAC name of but-3-enoxycyclobutane?
The IUPAC name of but-3-enoxycyclobutane (CID 130057115) is but-3-enoxycyclobutane.
What is the SMILES notation for but-3-enoxycyclobutane?
The canonical SMILES for but-3-enoxycyclobutane is C=CCCOC1CCC1.
What is the InChIKey of but-3-enoxycyclobutane?
The InChIKey is GDOZNUIHSRHFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-7-9-8-5-4-6-8/h2,8H,1,3-7H2.
What are the key properties of but-3-enoxycyclobutane?
but-3-enoxycyclobutane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoxycyclobutane is sourced from PubChem (CID 130057115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).