1,1,2,3-tetraethoxybut-1-ene

C12H24O4 — CID 163217034

IUPAC1,1,2,3-tetraethoxybut-1-ene
SMILESCCOC(OCC)=C(OCC)C(C)OCC
InChIInChI=1S/C12H24O4/c1-6-13-10(5)11(14-7-2)12(15-8-3)16-9-4/h10H,6-9H2,1-5H3
InChIKeyZDQALYNFCPTYMM-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.69
Rot. Bonds9

About 1,1,2,3-tetraethoxybut-1-ene

1,1,2,3-tetraethoxybut-1-ene (PubChem CID 163217034) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1,1,2,3-tetraethoxybut-1-ene.

Molecular Properties

Compound Name1,1,2,3-tetraethoxybut-1-ene
PubChem CID163217034
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name1,1,2,3-tetraethoxybut-1-ene
SMILESCCOC(OCC)=C(OCC)C(C)OCC
InChIInChI=1S/C12H24O4/c1-6-13-10(5)11(14-7-2)12(15-8-3)16-9-4/h10H,6-9H2,1-5H3
InChIKeyZDQALYNFCPTYMM-UHFFFAOYSA-N
XLogP2.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-triethoxybut-1-enylsilane
CID 173068771
diethyl 2-(2-ethoxypropanoyl)propanedioate
CID 64532812
amino 2-ethoxypropanoate
CID 87914402
CID 21266963
CID 21266963
ethyl 5-ethoxy-4-oxohexanoate
CID 66324240
2-ethoxypropanoic acid;methane
CID 160636954
sodium 2-ethoxypropanoate
CID 141029681
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929
ethanamine;1-ethoxyethanol
CID 20501270
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
(3E)-3-(1-ethoxyethyl)penta-1,3-diene
CID 143486884
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetraethoxybut-1-ene?
The IUPAC name of 1,1,2,3-tetraethoxybut-1-ene (CID 163217034) is 1,1,2,3-tetraethoxybut-1-ene.
What is the SMILES notation for 1,1,2,3-tetraethoxybut-1-ene?
The canonical SMILES for 1,1,2,3-tetraethoxybut-1-ene is CCOC(OCC)=C(OCC)C(C)OCC.
What is the InChIKey of 1,1,2,3-tetraethoxybut-1-ene?
The InChIKey is ZDQALYNFCPTYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-6-13-10(5)11(14-7-2)12(15-8-3)16-9-4/h10H,6-9H2,1-5H3.
What are the key properties of 1,1,2,3-tetraethoxybut-1-ene?
1,1,2,3-tetraethoxybut-1-ene has a molecular weight of 232.32 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetraethoxybut-1-ene is sourced from PubChem (CID 163217034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).