3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene

C8H16O3 — CID 547704

IUPAC3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene
SMILESC=CCOCCOCCOC
InChIInChI=1S/C8H16O3/c1-3-4-10-7-8-11-6-5-9-2/h3H,1,4-8H2,2H3
InChIKeyYTTILRPAYBZIKQ-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.85
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene

3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene (PubChem CID 547704) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene
PubChem CID547704
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene
SMILESC=CCOCCOCCOC
InChIInChI=1S/C8H16O3/c1-3-4-10-7-8-11-6-5-9-2/h3H,1,4-8H2,2H3
InChIKeyYTTILRPAYBZIKQ-UHFFFAOYSA-N
XLogP0.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene (CID 547704) is 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene is C=CCOCCOCCOC.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene?
The InChIKey is YTTILRPAYBZIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-10-7-8-11-6-5-9-2/h3H,1,4-8H2,2H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene?
3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene has a molecular weight of 160.21 g/mol, XLogP of 0.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 547704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).