4-ethoxy-3-(ethoxymethyl)but-1-ene

C9H18O2 — CID 23573612

IUPAC4-ethoxy-3-(ethoxymethyl)but-1-ene
SMILESC=CC(COCC)COCC
InChIInChI=1S/C9H18O2/c1-4-9(7-10-5-2)8-11-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyUUSPXMRTZSOJDV-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.86
Rot. Bonds7

About 4-ethoxy-3-(ethoxymethyl)but-1-ene

4-ethoxy-3-(ethoxymethyl)but-1-ene (PubChem CID 23573612) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-ethoxy-3-(ethoxymethyl)but-1-ene.

Molecular Properties

Compound Name4-ethoxy-3-(ethoxymethyl)but-1-ene
PubChem CID23573612
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-ethoxy-3-(ethoxymethyl)but-1-ene
SMILESC=CC(COCC)COCC
InChIInChI=1S/C9H18O2/c1-4-9(7-10-5-2)8-11-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyUUSPXMRTZSOJDV-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethenoxy-4-ethoxybut-1-ene
CID 46224302
4-ethoxy-3-(1-ethoxybut-3-en-2-ylsulfanyl)but-1-ene
CID 87899820
3-(ethoxymethoxymethyl)dec-1-ene
CID 150328401
buta-1,3-diene;ethoxyethane
CID 18964357
ethoxyethane;prop-1-ene
CID 22712887
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
3-(methoxymethyl)pent-1-ene
CID 54004268
1-ethoxypropan-2-ylphosphane
CID 89068231
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
ethoxyethane;fluoroethene
CID 87329841
1,2-diethoxyethane;ethenamine
CID 160675526
2-(1,3-diethoxypropan-2-yloxy)-1,3-diethoxypropane
CID 87533992

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(ethoxymethyl)but-1-ene?
The IUPAC name of 4-ethoxy-3-(ethoxymethyl)but-1-ene (CID 23573612) is 4-ethoxy-3-(ethoxymethyl)but-1-ene.
What is the SMILES notation for 4-ethoxy-3-(ethoxymethyl)but-1-ene?
The canonical SMILES for 4-ethoxy-3-(ethoxymethyl)but-1-ene is C=CC(COCC)COCC.
What is the InChIKey of 4-ethoxy-3-(ethoxymethyl)but-1-ene?
The InChIKey is UUSPXMRTZSOJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(7-10-5-2)8-11-6-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 4-ethoxy-3-(ethoxymethyl)but-1-ene?
4-ethoxy-3-(ethoxymethyl)but-1-ene has a molecular weight of 158.24 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(ethoxymethyl)but-1-ene is sourced from PubChem (CID 23573612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).