1-ethenoxybutane

C6H12O — CID 8108

IUPAC1-ethenoxybutane
SMILESC=COCCCC
InChIInChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
InChIKeyUZKWTJUDCOPSNM-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.95
Rot. Bonds4

About 1-ethenoxybutane

1-ethenoxybutane (PubChem CID 8108) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 1-ethenoxybutane.

Molecular Properties

Compound Name1-ethenoxybutane
PubChem CID8108
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name1-ethenoxybutane
SMILESC=COCCCC
InChIInChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3
InChIKeyUZKWTJUDCOPSNM-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.95
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'}

Analyze 1-ethenoxybutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl vinyl ether
CID 8023
Vinyl isobutyl ether
CID 7992
Propane, 2-(ethenyloxy)-
CID 13557
Propyl vinyl ether
CID 69815
Ethene, 1,2-diethoxy-
CID 3032654
Ethylene, 1,2-dibutoxy-
CID 3033577
1-(Ethenyloxy)pentane
CID 21459
Vinylisopentyl ether
CID 142381
1,2-Dimethoxyethylene
CID 637927
2-(Ethenyloxy)butane
CID 13172912
(Z)-1,2-dimethoxyethene
CID 5463474
(z)-Diethoxyethene
CID 10942392

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxybutane?
The IUPAC name of 1-ethenoxybutane (CID 8108) is 1-ethenoxybutane.
What is the SMILES notation for 1-ethenoxybutane?
The canonical SMILES for 1-ethenoxybutane is C=COCCCC.
What is the InChIKey of 1-ethenoxybutane?
The InChIKey is UZKWTJUDCOPSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3.
What are the key properties of 1-ethenoxybutane?
1-ethenoxybutane has a molecular weight of 100.16 g/mol, XLogP of 1.95, 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 8108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).