3,4-diethoxybut-1-ene

C8H16O2 — CID 19376958

IUPAC3,4-diethoxybut-1-ene
SMILESC=CC(COCC)OCC
InChIInChI=1S/C8H16O2/c1-4-8(10-6-3)7-9-5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyXPADONXQHQVBBZ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.61
Rot. Bonds6

About 3,4-diethoxybut-1-ene

3,4-diethoxybut-1-ene (PubChem CID 19376958) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3,4-diethoxybut-1-ene.

Molecular Properties

Compound Name3,4-diethoxybut-1-ene
PubChem CID19376958
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3,4-diethoxybut-1-ene
SMILESC=CC(COCC)OCC
InChIInChI=1S/C8H16O2/c1-4-8(10-6-3)7-9-5-2/h4,8H,1,5-7H2,2-3H3
InChIKeyXPADONXQHQVBBZ-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.61
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

3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene
CID 75719
1-Propene, 3-(2-(2-methoxypropoxy)propoxy)-
CID 107063
1-Propene, 3-(2-(2-methoxyethoxy)ethoxy)-
CID 547704
1-Butene, 3-butoxy-
CID 543705
3-But-3-en-2-yloxybut-1-ene
CID 14533157
3,4-Di(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)butene
CID 18327886
1-Ethyl-2-propenyl ether
CID 21584883
3-[2-(2-Ethoxyethoxy) ethoxy]-propene-1
CID 54364351
Bis-(2-allyloxy-propyl) ether
CID 129659935
(2S)-2-ethenyl-1,4-dioxane
CID 162410227
1-Fluoro-3-prop-2-enoxy-2-propoxypropane
CID 174964334
1-Fluoro-1-prop-2-enoxy-2-propoxypropane
CID 174964335

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxybut-1-ene?
The IUPAC name of 3,4-diethoxybut-1-ene (CID 19376958) is 3,4-diethoxybut-1-ene.
What is the SMILES notation for 3,4-diethoxybut-1-ene?
The canonical SMILES for 3,4-diethoxybut-1-ene is C=CC(COCC)OCC.
What is the InChIKey of 3,4-diethoxybut-1-ene?
The InChIKey is XPADONXQHQVBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-8(10-6-3)7-9-5-2/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 3,4-diethoxybut-1-ene?
3,4-diethoxybut-1-ene has a molecular weight of 144.21 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxybut-1-ene is sourced from PubChem (CID 19376958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).