2-(ethoxymethoxy)-3-methoxybut-1-ene

C8H16O3 — CID 20770083

IUPAC2-(ethoxymethoxy)-3-methoxybut-1-ene
SMILESC=C(OCOCC)C(C)OC
InChIInChI=1S/C8H16O3/c1-5-10-6-11-8(3)7(2)9-4/h7H,3,5-6H2,1-2,4H3
InChIKeyOMDDMNPINIQXEZ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.55
Rot. Bonds6

About 2-(ethoxymethoxy)-3-methoxybut-1-ene

2-(ethoxymethoxy)-3-methoxybut-1-ene (PubChem CID 20770083) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(ethoxymethoxy)-3-methoxybut-1-ene.

Molecular Properties

Compound Name2-(ethoxymethoxy)-3-methoxybut-1-ene
PubChem CID20770083
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(ethoxymethoxy)-3-methoxybut-1-ene
SMILESC=C(OCOCC)C(C)OC
InChIInChI=1S/C8H16O3/c1-5-10-6-11-8(3)7(2)9-4/h7H,3,5-6H2,1-2,4H3
InChIKeyOMDDMNPINIQXEZ-UHFFFAOYSA-N
XLogP1.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)-3-methoxybut-1-ene?
The IUPAC name of 2-(ethoxymethoxy)-3-methoxybut-1-ene (CID 20770083) is 2-(ethoxymethoxy)-3-methoxybut-1-ene.
What is the SMILES notation for 2-(ethoxymethoxy)-3-methoxybut-1-ene?
The canonical SMILES for 2-(ethoxymethoxy)-3-methoxybut-1-ene is C=C(OCOCC)C(C)OC.
What is the InChIKey of 2-(ethoxymethoxy)-3-methoxybut-1-ene?
The InChIKey is OMDDMNPINIQXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-10-6-11-8(3)7(2)9-4/h7H,3,5-6H2,1-2,4H3.
What are the key properties of 2-(ethoxymethoxy)-3-methoxybut-1-ene?
2-(ethoxymethoxy)-3-methoxybut-1-ene has a molecular weight of 160.21 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)-3-methoxybut-1-ene is sourced from PubChem (CID 20770083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).