1-ethenoxy-2-(ethenoxymethyl)butane

C9H16O2 — CID 126747604

IUPAC1-ethenoxy-2-(ethenoxymethyl)butane
SMILESC=COCC(CC)COC=C
InChIInChI=1S/C9H16O2/c1-4-9(7-10-5-2)8-11-6-3/h5-6,9H,2-4,7-8H2,1H3
InChIKeyXQVMDMGKRJIKEU-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.33
Rot. Bonds7

About 1-ethenoxy-2-(ethenoxymethyl)butane

1-ethenoxy-2-(ethenoxymethyl)butane (PubChem CID 126747604) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-ethenoxy-2-(ethenoxymethyl)butane.

Molecular Properties

Compound Name1-ethenoxy-2-(ethenoxymethyl)butane
PubChem CID126747604
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-ethenoxy-2-(ethenoxymethyl)butane
SMILESC=COCC(CC)COC=C
InChIInChI=1S/C9H16O2/c1-4-9(7-10-5-2)8-11-6-3/h5-6,9H,2-4,7-8H2,1H3
InChIKeyXQVMDMGKRJIKEU-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethylene, 1,2-dibutoxy-
CID 3033577
Vinylisopentyl ether
CID 142381
(2-Methyl-butyl)-vinyl-ether
CID 19917295
1-(Vinyloxy)-2,2-bis((vinyloxy)methyl)butane
CID 21867830
Ethenoxyethane;1-ethenoxy-2-methylpropane
CID 19098017
2,2-Dimethyl-1,3-bis(vinyloxy)propane
CID 3019753
1,3-Bis(ethenoxy)-2-(ethenoxymethyl)-2-methylpropane
CID 21943770
1-[(Z)-2-butoxyethenoxy]butane
CID 57281680
(s)-2-Methylbutylvinylether
CID 101919245
CID 52304
CID 52304
3-(Ethenoxymethyl)pentane
CID 12166569
1-(2-Ethenoxyethoxy)-3-methylbutane
CID 14510950

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-(ethenoxymethyl)butane?
The IUPAC name of 1-ethenoxy-2-(ethenoxymethyl)butane (CID 126747604) is 1-ethenoxy-2-(ethenoxymethyl)butane.
What is the SMILES notation for 1-ethenoxy-2-(ethenoxymethyl)butane?
The canonical SMILES for 1-ethenoxy-2-(ethenoxymethyl)butane is C=COCC(CC)COC=C.
What is the InChIKey of 1-ethenoxy-2-(ethenoxymethyl)butane?
The InChIKey is XQVMDMGKRJIKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(7-10-5-2)8-11-6-3/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-ethenoxy-2-(ethenoxymethyl)butane?
1-ethenoxy-2-(ethenoxymethyl)butane has a molecular weight of 156.22 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-(ethenoxymethyl)butane is sourced from PubChem (CID 126747604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).