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

C15H28O6 — CID 164782019

IUPAC2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
SMILESC=CCCOCCCOCC(COCC1CO1)OCOC
InChIInChI=1S/C15H28O6/c1-3-4-6-17-7-5-8-18-9-14(21-13-16-2)10-19-11-15-12-20-15/h3,14-15H,1,4-13H2,2H3
InChIKeySIAJFSXYZHZDAO-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.39
Rot. Bonds16

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

2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane (PubChem CID 164782019) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
PubChem CID164782019
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
SMILESC=CCCOCCCOCC(COCC1CO1)OCOC
InChIInChI=1S/C15H28O6/c1-3-4-6-17-7-5-8-18-9-14(21-13-16-2)10-19-11-15-12-20-15/h3,14-15H,1,4-13H2,2H3
InChIKeySIAJFSXYZHZDAO-UHFFFAOYSA-N
XLogP1.39
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.39
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-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The IUPAC name of 2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane (CID 164782019) is 2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane.
What is the SMILES notation for 2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The canonical SMILES for 2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane is C=CCCOCCCOCC(COCC1CO1)OCOC.
What is the InChIKey of 2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
The InChIKey is SIAJFSXYZHZDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-3-4-6-17-7-5-8-18-9-14(21-13-16-2)10-19-11-15-12-20-15/h3,14-15H,1,4-13H2,2H3.
What are the key properties of 2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane?
2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane has a molecular weight of 304.38 g/mol, XLogP of 1.39, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-but-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane is sourced from PubChem (CID 164782019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).