2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane

C10H16O4 — CID 56614973

IUPAC2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane
SMILESC(=COCC1CO1)CCOCC1CO1
InChIInChI=1S/C10H16O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h1,3,9-10H,2,4-8H2
InChIKeyCQSITKXTEXZHKP-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.72
Rot. Bonds8

About 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane

2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane (PubChem CID 56614973) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane.

Molecular Properties

Compound Name2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane
PubChem CID56614973
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane
SMILESC(=COCC1CO1)CCOCC1CO1
InChIInChI=1S/C10H16O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h1,3,9-10H,2,4-8H2
InChIKeyCQSITKXTEXZHKP-UHFFFAOYSA-N
XLogP0.72
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Glycidoxyallylether
CID 129880659
(E)-but-1-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 19837825
Oxirane;2-[1-[1-(oxiran-2-yl)but-3-enoxy]but-3-enyl]oxirane
CID 22281013
2-[6-(Oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane
CID 57121799
2-[4-[4-(Oxiran-2-ylmethoxy)but-1-enoxy]but-3-enoxymethyl]oxirane
CID 57179890
2-Methyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 87309549
But-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87391943
2-[2-(Oxiran-2-ylmethoxy)but-3-enoxymethyl]oxirane
CID 87507548
2-[3-[4-(Oxiran-2-ylmethoxy)but-1-en-2-yloxy]but-3-enoxymethyl]oxirane
CID 88077477
2-(Oxiran-2-ylmethoxymethyl)oxirane;pent-1-ene
CID 88199705
2-[4-(Oxiran-2-ylmethoxy)buta-1,3-dienoxymethyl]oxirane
CID 139902968
2-[6-[6-(Oxiran-2-ylmethoxy)hex-1-enoxy]hex-5-enoxymethyl]oxirane
CID 140316925

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane?
The IUPAC name of 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane (CID 56614973) is 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane.
What is the SMILES notation for 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane?
The canonical SMILES for 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane is C(=COCC1CO1)CCOCC1CO1.
What is the InChIKey of 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane?
The InChIKey is CQSITKXTEXZHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h1,3,9-10H,2,4-8H2.
What are the key properties of 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane?
2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane has a molecular weight of 200.23 g/mol, XLogP of 0.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxiran-2-ylmethoxy)but-1-enoxymethyl]oxirane is sourced from PubChem (CID 56614973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).