(E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene

C18H28O4 — CID 101137196

IUPAC(E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene
SMILESC/C=C/OCC/C=C/O/C=C/CCO/C=C/CCO/C=C/C
InChIInChI=1S/C18H28O4/c1-3-11-19-13-5-7-15-21-17-9-10-18-22-16-8-6-14-20-12-4-2/h3-4,7-9,11-12,15-17H,5-6,10,13-14,18H2,1-2H3/b11-3+,12-4+,15-7+,16-8+,17-9+
InChIKeyXZPSIZBYWVXDAY-QHTAAGCZSA-N
MW308.42 g/mol
LogP4.83
Rot. Bonds14

About (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene

(E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene (PubChem CID 101137196) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene.

Molecular Properties

Compound Name(E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene
PubChem CID101137196
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name(E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene
SMILESC/C=C/OCC/C=C/O/C=C/CCO/C=C/CCO/C=C/C
InChIInChI=1S/C18H28O4/c1-3-11-19-13-5-7-15-21-17-9-10-18-22-16-8-6-14-20-12-4-2/h3-4,7-9,11-12,15-17H,5-6,10,13-14,18H2,1-2H3/b11-3+,12-4+,15-7+,16-8+,17-9+
InChIKeyXZPSIZBYWVXDAY-QHTAAGCZSA-N
XLogP4.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
1-prop-1-enoxyhex-1-ene
CID 57015059
1,10-bis(prop-1-enoxy)decane
CID 54271291
1-butoxyocta-1,6-diene
CID 87963042
4-prop-1-enoxybutan-2-one
CID 71435661
[(E)-pent-3-enyl] formate
CID 14644551
1-prop-1-enoxybut-2-ene
CID 21944
1-octa-1,6-dienoxyoctane
CID 88510416
(E)-1,4-dibutoxybut-1-ene
CID 15357022
1-prop-1-enoxydecane
CID 54116737
4-(2-chloroethoxy)-1-[4-(2-chloroethoxy)but-1-enoxy]but-1-ene
CID 91512187
3-prop-1-enoxypropanoic acid
CID 140976300

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene?
The IUPAC name of (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene (CID 101137196) is (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene.
What is the SMILES notation for (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene?
The canonical SMILES for (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene is C/C=C/OCC/C=C/O/C=C/CCO/C=C/CCO/C=C/C.
What is the InChIKey of (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene?
The InChIKey is XZPSIZBYWVXDAY-QHTAAGCZSA-N. The full InChI is InChI=1S/C18H28O4/c1-3-11-19-13-5-7-15-21-17-9-10-18-22-16-8-6-14-20-12-4-2/h3-4,7-9,11-12,15-17H,5-6,10,13-14,18H2,1-2H3/b11-3+,12-4+,15-7+,16-8+,17-9+.
What are the key properties of (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene?
(E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene has a molecular weight of 308.42 g/mol, XLogP of 4.83, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(E)-prop-1-enoxy]-1-[(E)-4-[(E)-4-[(E)-prop-1-enoxy]but-1-enoxy]but-3-enoxy]but-1-ene is sourced from PubChem (CID 101137196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).