1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane

C17H32O9 — CID 134509540

IUPAC1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane
SMILESC=COCCOCOC(C)OCCOCOC(C)OCCOCOC=C
InChIInChI=1S/C17H32O9/c1-5-18-7-8-21-14-25-17(4)24-12-10-22-15-26-16(3)23-11-9-20-13-19-6-2/h5-6,16-17H,1-2,7-15H2,3-4H3
InChIKeyPMWGFLKFKUWATR-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.99
Rot. Bonds21

About 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane

1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane (PubChem CID 134509540) has the molecular formula C17H32O9 and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane
PubChem CID134509540
Molecular FormulaC17H32O9
Molecular Weight380.43 g/mol
Exact Mass380.20
IUPAC Name1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane
SMILESC=COCCOCOC(C)OCCOCOC(C)OCCOCOC=C
InChIInChI=1S/C17H32O9/c1-5-18-7-8-21-14-25-17(4)24-12-10-22-15-26-16(3)23-11-9-20-13-19-6-2/h5-6,16-17H,1-2,7-15H2,3-4H3
InChIKeyPMWGFLKFKUWATR-UHFFFAOYSA-N
XLogP1.99
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane?
The IUPAC name of 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane (CID 134509540) is 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane.
What is the SMILES notation for 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane?
The canonical SMILES for 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane is C=COCCOCOC(C)OCCOCOC(C)OCCOCOC=C.
What is the InChIKey of 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane?
The InChIKey is PMWGFLKFKUWATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O9/c1-5-18-7-8-21-14-25-17(4)24-12-10-22-15-26-16(3)23-11-9-20-13-19-6-2/h5-6,16-17H,1-2,7-15H2,3-4H3.
What are the key properties of 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane?
1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane has a molecular weight of 380.43 g/mol, XLogP of 1.99, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-ethenoxyethoxymethoxy)ethoxy]ethoxymethoxy]-1-[2-(ethenoxymethoxy)ethoxy]ethane is sourced from PubChem (CID 134509540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).