2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane

C14H26O6 — CID 164782020

IUPAC2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
SMILESC=CCCOCCOCC(COCC1CO1)OCOC
InChIInChI=1S/C14H26O6/c1-3-4-5-16-6-7-17-8-13(20-12-15-2)9-18-10-14-11-19-14/h3,13-14H,1,4-12H2,2H3
InChIKeyRSUFZCLWBLOWHD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.00
Rot. Bonds15

About 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane

2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane (PubChem CID 164782020) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
PubChem CID164782020
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
SMILESC=CCCOCCOCC(COCC1CO1)OCOC
InChIInChI=1S/C14H26O6/c1-3-4-5-16-6-7-17-8-13(20-12-15-2)9-18-10-14-11-19-14/h3,13-14H,1,4-12H2,2H3
InChIKeyRSUFZCLWBLOWHD-UHFFFAOYSA-N
XLogP1.00
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The IUPAC name of 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane (CID 164782020) is 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane.
What is the SMILES notation for 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The canonical SMILES for 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane is C=CCCOCCOCC(COCC1CO1)OCOC.
What is the InChIKey of 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The InChIKey is RSUFZCLWBLOWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-3-4-5-16-6-7-17-8-13(20-12-15-2)9-18-10-14-11-19-14/h3,13-14H,1,4-12H2,2H3.
What are the key properties of 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane has a molecular weight of 290.36 g/mol, XLogP of 1.00, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-but-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane is sourced from PubChem (CID 164782020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).