1-(2-ethenoxypropoxy)butane

C9H18O2 — CID 140570921

IUPAC1-(2-ethenoxypropoxy)butane
SMILESC=COC(C)COCCCC
InChIInChI=1S/C9H18O2/c1-4-6-7-10-8-9(3)11-5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyGFEKWEFJJHFPCD-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds7

About 1-(2-ethenoxypropoxy)butane

1-(2-ethenoxypropoxy)butane (PubChem CID 140570921) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(2-ethenoxypropoxy)butane.

Molecular Properties

Compound Name1-(2-ethenoxypropoxy)butane
PubChem CID140570921
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-(2-ethenoxypropoxy)butane
SMILESC=COC(C)COCCCC
InChIInChI=1S/C9H18O2/c1-4-6-7-10-8-9(3)11-5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyGFEKWEFJJHFPCD-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Butoxy-2-vinyloxy ethane
CID 20207
Diethylene glycol ethyl vinyl ether
CID 25008
2-[(Z)-2-propan-2-yloxyethenoxy]propane
CID 102121609
1,2-Bis(ethenyloxy)propane
CID 15570361
4-Methyl-3,6-dioxaoct-7-ene
CID 17934856
1,2-Dibutoxybutane
CID 19890483
1-Ethenoxy-1-fluoro-2-propoxypropane
CID 88059157
1-Ethenoxy-3-fluoro-2-propoxypropane
CID 88059158
1-(2-Fluoroethenoxy)-2-propoxypropane
CID 141404300
2-(2-Butoxyethoxy)propane
CID 22002894
2-(2-Ethenoxyethoxy)butane
CID 60110729
2-[(E)-2-propan-2-yloxyethenoxy]propane
CID 12388021

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxypropoxy)butane?
The IUPAC name of 1-(2-ethenoxypropoxy)butane (CID 140570921) is 1-(2-ethenoxypropoxy)butane.
What is the SMILES notation for 1-(2-ethenoxypropoxy)butane?
The canonical SMILES for 1-(2-ethenoxypropoxy)butane is C=COC(C)COCCCC.
What is the InChIKey of 1-(2-ethenoxypropoxy)butane?
The InChIKey is GFEKWEFJJHFPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-6-7-10-8-9(3)11-5-2/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of 1-(2-ethenoxypropoxy)butane?
1-(2-ethenoxypropoxy)butane has a molecular weight of 158.24 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxypropoxy)butane is sourced from PubChem (CID 140570921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).