(Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene

C12H22O3 — CID 87752208

IUPAC(Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene
SMILESCC/C=C(/OCC)O/C(=C\CC)OCC
InChIInChI=1S/C12H22O3/c1-5-9-11(13-7-3)15-12(10-6-2)14-8-4/h9-10H,5-8H2,1-4H3/b11-9-,12-10-
InChIKeyJZBCKEHGOUISHE-HWAYABPNSA-N
MW214.30 g/mol
LogP3.58
Rot. Bonds8

About (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene

(Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene (PubChem CID 87752208) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene.

Molecular Properties

Compound Name(Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene
PubChem CID87752208
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene
SMILESCC/C=C(/OCC)O/C(=C\CC)OCC
InChIInChI=1S/C12H22O3/c1-5-9-11(13-7-3)15-12(10-6-2)14-8-4/h9-10H,5-8H2,1-4H3/b11-9-,12-10-
InChIKeyJZBCKEHGOUISHE-HWAYABPNSA-N
XLogP3.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene?
The IUPAC name of (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene (CID 87752208) is (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene.
What is the SMILES notation for (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene?
The canonical SMILES for (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene is CC/C=C(/OCC)O/C(=C\CC)OCC.
What is the InChIKey of (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene?
The InChIKey is JZBCKEHGOUISHE-HWAYABPNSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-9-11(13-7-3)15-12(10-6-2)14-8-4/h9-10H,5-8H2,1-4H3/b11-9-,12-10-.
What are the key properties of (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene?
(Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene has a molecular weight of 214.30 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-1-[(Z)-1-ethoxybut-1-enoxy]but-1-ene is sourced from PubChem (CID 87752208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).