(E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene

C14H26O5 — CID 88773644

IUPAC(E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene
SMILESCCO/C(CC)=C(\OC)O/C(OC)=C(\CC)OCC
InChIInChI=1S/C14H26O5/c1-7-11(17-9-3)13(15-5)19-14(16-6)12(8-2)18-10-4/h7-10H2,1-6H3/b13-11+,14-12+
InChIKeyDSHWCIJGQRFCIT-PHEQNACWSA-N
MW274.36 g/mol
LogP3.53
Rot. Bonds10

About (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene

(E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene (PubChem CID 88773644) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene.

Molecular Properties

Compound Name(E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene
PubChem CID88773644
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name(E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene
SMILESCCO/C(CC)=C(\OC)O/C(OC)=C(\CC)OCC
InChIInChI=1S/C14H26O5/c1-7-11(17-9-3)13(15-5)19-14(16-6)12(8-2)18-10-4/h7-10H2,1-6H3/b13-11+,14-12+
InChIKeyDSHWCIJGQRFCIT-PHEQNACWSA-N
XLogP3.53
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-diethoxy-2-methoxyethenoxy)propane
CID 154128100
2-ethoxybut-1-ene;2-methoxybut-1-ene
CID 139345076
(Z)-3-ethoxy-2-propanoylpent-2-enenitrile
CID 14983647
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1,2,3-triethoxy-1-(1,2,3-triethoxyprop-1-enoxy)prop-1-ene
CID 173041629
CID 175796855
CID 175796855
methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
3-methoxy-4-(2-methylpropoxy)hex-3-ene
CID 123264499
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
CID 175269376
CID 175269376
ethanol;ethyl methyl carbonate
CID 161101393
diethyl (2E,4E)-2,3,4,5-tetraethylhexa-2,4-dienedioate
CID 101172123

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene?
The IUPAC name of (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene (CID 88773644) is (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene.
What is the SMILES notation for (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene?
The canonical SMILES for (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene is CCO/C(CC)=C(\OC)O/C(OC)=C(\CC)OCC.
What is the InChIKey of (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene?
The InChIKey is DSHWCIJGQRFCIT-PHEQNACWSA-N. The full InChI is InChI=1S/C14H26O5/c1-7-11(17-9-3)13(15-5)19-14(16-6)12(8-2)18-10-4/h7-10H2,1-6H3/b13-11+,14-12+.
What are the key properties of (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene?
(E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene has a molecular weight of 274.36 g/mol, XLogP of 3.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethoxy-1-[(E)-2-ethoxy-1-methoxybut-1-enoxy]-1-methoxybut-1-ene is sourced from PubChem (CID 88773644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).