1-ethenoxybutane

C6H11O+ — CID 134834362

IUPAC1-ethenoxybutane
SMILES[H]/[C+]=C/OCCCC
InChIInChI=1S/C6H11O/c1-3-5-6-7-4-2/h2,4H,3,5-6H2,1H3/q+1
InChIKeyGCHBQAYPRZMBJU-UHFFFAOYSA-N
MW99.15 g/mol
LogP1.75
Rot. Bonds4

About 1-ethenoxybutane

1-ethenoxybutane (PubChem CID 134834362) has the molecular formula C6H11O+ and a molecular weight of 99.15 g/mol. Its IUPAC name is 1-ethenoxybutane.

Molecular Properties

Compound Name1-ethenoxybutane
PubChem CID134834362
Molecular FormulaC6H11O+
Molecular Weight99.15 g/mol
Exact Mass99.08
IUPAC Name1-ethenoxybutane
SMILES[H]/[C+]=C/OCCCC
InChIInChI=1S/C6H11O/c1-3-5-6-7-4-2/h2,4H,3,5-6H2,1H3/q+1
InChIKeyGCHBQAYPRZMBJU-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.15
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxybutane?
The IUPAC name of 1-ethenoxybutane (CID 134834362) is 1-ethenoxybutane.
What is the SMILES notation for 1-ethenoxybutane?
The canonical SMILES for 1-ethenoxybutane is [H]/[C+]=C/OCCCC.
What is the InChIKey of 1-ethenoxybutane?
The InChIKey is GCHBQAYPRZMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O/c1-3-5-6-7-4-2/h2,4H,3,5-6H2,1H3/q+1.
What are the key properties of 1-ethenoxybutane?
1-ethenoxybutane has a molecular weight of 99.15 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxybutane is sourced from PubChem (CID 134834362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).