(E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene

C10H18O3 — CID 87106046

IUPAC(E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene
SMILESCC/C=C(\OC)O/C(=C/CC)OC
InChIInChI=1S/C10H18O3/c1-5-7-9(11-3)13-10(12-4)8-6-2/h7-8H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyBMFLQYGWKUVHAU-FIFLTTCUSA-N
MW186.25 g/mol
LogP2.80
Rot. Bonds6

About (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene

(E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene (PubChem CID 87106046) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene.

Molecular Properties

Compound Name(E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene
PubChem CID87106046
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene
SMILESCC/C=C(\OC)O/C(=C/CC)OC
InChIInChI=1S/C10H18O3/c1-5-7-9(11-3)13-10(12-4)8-6-2/h7-8H,5-6H2,1-4H3/b9-7+,10-8+
InChIKeyBMFLQYGWKUVHAU-FIFLTTCUSA-N
XLogP2.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.80
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 (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene?
The IUPAC name of (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene (CID 87106046) is (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene.
What is the SMILES notation for (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene?
The canonical SMILES for (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene is CC/C=C(\OC)O/C(=C/CC)OC.
What is the InChIKey of (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene?
The InChIKey is BMFLQYGWKUVHAU-FIFLTTCUSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-7-9(11-3)13-10(12-4)8-6-2/h7-8H,5-6H2,1-4H3/b9-7+,10-8+.
What are the key properties of (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene?
(E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene has a molecular weight of 186.25 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-1-[(E)-1-methoxybut-1-enoxy]but-1-ene is sourced from PubChem (CID 87106046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).