(3E)-1,4-diethoxybuta-1,3-diene

C8H14O2 — CID 173199605

IUPAC(3E)-1,4-diethoxybuta-1,3-diene
SMILESCCOC=C/C=C/OCC
InChIInChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6?
InChIKeyHEKKBCJCDCTDRT-UOBFQKKOSA-N
MW142.20 g/mol
LogP2.09
Rot. Bonds5

About (3E)-1,4-diethoxybuta-1,3-diene

(3E)-1,4-diethoxybuta-1,3-diene (PubChem CID 173199605) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3E)-1,4-diethoxybuta-1,3-diene.

Molecular Properties

Compound Name(3E)-1,4-diethoxybuta-1,3-diene
PubChem CID173199605
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3E)-1,4-diethoxybuta-1,3-diene
SMILESCCOC=C/C=C/OCC
InChIInChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6?
InChIKeyHEKKBCJCDCTDRT-UOBFQKKOSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,3E)-1-chloro-4-ethoxybuta-1,3-diene
CID 142586184
(1E)-1-ethoxybuta-1,3-diene
CID 5462978
2-ethoxyethenyl-λ2-stannane
CID 173035861
1-(2-ethoxyethenoxy)propane
CID 154115390
tributyl-[(1E,3E)-4-ethoxybuta-1,3-dienyl]stannane
CID 10960038
3-ethoxyprop-2-enylsilane
CID 150379545
(E)-1-ethoxy-3,3-dimethylbut-1-ene
CID 5462937
(Z)-1-ethoxypent-1-ene
CID 12512190
1-ethoxy-3-(3-ethoxyprop-2-enyldisulfanyl)prop-1-ene
CID 134208767
2-ethoxy-N-ethylethenamine
CID 58091156
3-ethoxy-N,N-dimethylprop-2-en-1-amine
CID 138108716
1-[(Z)-2-ethoxyethenyl]aziridine
CID 163981835

Frequently Asked Questions

What is the IUPAC name of (3E)-1,4-diethoxybuta-1,3-diene?
The IUPAC name of (3E)-1,4-diethoxybuta-1,3-diene (CID 173199605) is (3E)-1,4-diethoxybuta-1,3-diene.
What is the SMILES notation for (3E)-1,4-diethoxybuta-1,3-diene?
The canonical SMILES for (3E)-1,4-diethoxybuta-1,3-diene is CCOC=C/C=C/OCC.
What is the InChIKey of (3E)-1,4-diethoxybuta-1,3-diene?
The InChIKey is HEKKBCJCDCTDRT-UOBFQKKOSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6?.
What are the key properties of (3E)-1,4-diethoxybuta-1,3-diene?
(3E)-1,4-diethoxybuta-1,3-diene has a molecular weight of 142.20 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,4-diethoxybuta-1,3-diene is sourced from PubChem (CID 173199605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).