2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane

C14H26O5 — CID 164782023

IUPAC2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane
SMILESC=CCCOCCCC(COCC1CO1)OCOC
InChIInChI=1S/C14H26O5/c1-3-4-7-16-8-5-6-13(19-12-15-2)9-17-10-14-11-18-14/h3,13-14H,1,4-12H2,2H3
InChIKeyLGZCGFZJELOPPF-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.76
Rot. Bonds14

About 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane

2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane (PubChem CID 164782023) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane
PubChem CID164782023
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane
SMILESC=CCCOCCCC(COCC1CO1)OCOC
InChIInChI=1S/C14H26O5/c1-3-4-7-16-8-5-6-13(19-12-15-2)9-17-10-14-11-18-14/h3,13-14H,1,4-12H2,2H3
InChIKeyLGZCGFZJELOPPF-UHFFFAOYSA-N
XLogP1.76
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

2-Pentoxy-3-prop-2-enyloxirane
CID 87691163
2-[[3-(3-But-3-enoxypropoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
CID 164782019
2-[[3-(2-But-3-enoxyethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
CID 164782020
2-[[2-(Methoxymethoxy)-5-prop-2-enoxypentoxy]methyl]oxirane
CID 164782024
2-[[6-But-3-enoxy-2-(methoxymethoxy)hexoxy]methyl]oxirane
CID 164782026
2-[[3-(But-3-enoxymethoxy)-2-(methoxymethoxy)propoxy]methyl]oxirane
CID 164782028
2-[1-But-3-enoxy-3-[2-(oxiran-2-yl)ethoxy]propan-2-yl]oxyoxane
CID 168084396
2-[[2-(Methoxymethoxy)-3-pent-4-enoxypropoxy]methyl]oxirane
CID 168101446
2-[[3-But-3-enoxy-2-(methoxymethoxy)propoxy]methyl]oxirane
CID 171403093
(2R)-2-[(1S,2R)-1,2-bis(2-methoxyethoxymethoxy)but-3-enyl]oxirane
CID 10859742
(2R)-2-[(2R)-2-(2-methoxyethoxymethoxy)pent-4-enyl]oxirane
CID 11816767

Frequently Asked Questions

What is the IUPAC name of 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane?
The IUPAC name of 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane (CID 164782023) is 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane.
What is the SMILES notation for 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane?
The canonical SMILES for 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane is C=CCCOCCCC(COCC1CO1)OCOC.
What is the InChIKey of 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane?
The InChIKey is LGZCGFZJELOPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-3-4-7-16-8-5-6-13(19-12-15-2)9-17-10-14-11-18-14/h3,13-14H,1,4-12H2,2H3.
What are the key properties of 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane?
2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane has a molecular weight of 274.36 g/mol, XLogP of 1.76, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-but-3-enoxy-2-(methoxymethoxy)pentoxy]methyl]oxirane is sourced from PubChem (CID 164782023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).