4,4-diethoxybuta-1,2-diene

C8H14O2 — CID 57291206

IUPAC4,4-diethoxybuta-1,2-diene
SMILESC=C=CC(OCC)OCC
InChIInChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h7-8H,1,5-6H2,2-3H3
InChIKeyBJKXEUVTEFXZPL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.73
Rot. Bonds5

About 4,4-diethoxybuta-1,2-diene

4,4-diethoxybuta-1,2-diene (PubChem CID 57291206) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,4-diethoxybuta-1,2-diene.

Molecular Properties

Compound Name4,4-diethoxybuta-1,2-diene
PubChem CID57291206
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4,4-diethoxybuta-1,2-diene
SMILESC=C=CC(OCC)OCC
InChIInChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h7-8H,1,5-6H2,2-3H3
InChIKeyBJKXEUVTEFXZPL-UHFFFAOYSA-N
XLogP1.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-Diethoxy-1-propene
CID 62477
1,3,3-Triethoxy-1-propene, (E)-
CID 5369370
trans-2-Butenal diethyl acetal
CID 6278424
1,1-Diethoxy-2-butene
CID 99778
3,3,3-Triethoxyprop-1-ene
CID 371778
1,3,3-Triethoxy-1-propene, (Z)-
CID 5354783
Propionaldehyde dicrotyl acetal
CID 6437580
3-[1-(Prop-2-en-1-yloxy)ethoxy]prop-1-ene
CID 225379
3-Ethoxyacrolein diethyl acetal
CID 21587
3-[2-Methyl-1-(prop-2-en-1-yloxy)propoxy]prop-1-ene
CID 225386
1,1-Bis[(prop-2-en-1-yl)oxy]butane
CID 329136
3-Butoxy-3-methoxy-1-propene
CID 13738680

Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxybuta-1,2-diene?
The IUPAC name of 4,4-diethoxybuta-1,2-diene (CID 57291206) is 4,4-diethoxybuta-1,2-diene.
What is the SMILES notation for 4,4-diethoxybuta-1,2-diene?
The canonical SMILES for 4,4-diethoxybuta-1,2-diene is C=C=CC(OCC)OCC.
What is the InChIKey of 4,4-diethoxybuta-1,2-diene?
The InChIKey is BJKXEUVTEFXZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h7-8H,1,5-6H2,2-3H3.
What are the key properties of 4,4-diethoxybuta-1,2-diene?
4,4-diethoxybuta-1,2-diene has a molecular weight of 142.20 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxybuta-1,2-diene is sourced from PubChem (CID 57291206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).