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

C12H24O5 — CID 19986596

IUPAC3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene
SMILESC=CCOCCOCCOCCOCCOC
InChIInChI=1S/C12H24O5/c1-3-4-14-7-8-16-11-12-17-10-9-15-6-5-13-2/h3H,1,4-12H2,2H3
InChIKeyBTQIQWALSDQGNN-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.89
Rot. Bonds14

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

3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene (PubChem CID 19986596) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene
PubChem CID19986596
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene
SMILESC=CCOCCOCCOCCOCCOC
InChIInChI=1S/C12H24O5/c1-3-4-14-7-8-16-11-12-17-10-9-15-6-5-13-2/h3H,1,4-12H2,2H3
InChIKeyBTQIQWALSDQGNN-UHFFFAOYSA-N
XLogP0.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene?
The IUPAC name of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene (CID 19986596) is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene.
What is the SMILES notation for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene?
The canonical SMILES for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene is C=CCOCCOCCOCCOCCOC.
What is the InChIKey of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene?
The InChIKey is BTQIQWALSDQGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-3-4-14-7-8-16-11-12-17-10-9-15-6-5-13-2/h3H,1,4-12H2,2H3.
What are the key properties of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene?
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene has a molecular weight of 248.32 g/mol, XLogP of 0.89, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene is sourced from PubChem (CID 19986596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).