2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane

C12H20O4 — CID 57121799

IUPAC2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane
SMILESC(=COCC1CO1)CCCCOCC1CO1
InChIInChI=1S/C12H20O4/c1(3-5-13-7-11-9-15-11)2-4-6-14-8-12-10-16-12/h3,5,11-12H,1-2,4,6-10H2
InChIKeyKQYMPZICQTTXLY-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.50
Rot. Bonds10

About 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane

2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane (PubChem CID 57121799) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane.

Molecular Properties

Compound Name2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane
PubChem CID57121799
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane
SMILESC(=COCC1CO1)CCCCOCC1CO1
InChIInChI=1S/C12H20O4/c1(3-5-13-7-11-9-15-11)2-4-6-14-8-12-10-16-12/h3,5,11-12H,1-2,4,6-10H2
InChIKeyKQYMPZICQTTXLY-UHFFFAOYSA-N
XLogP1.50
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.50
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

2-(oct-1-enoxymethyl)oxirane
CID 57286562
2-[[(E)-heptadec-1-enoxy]methyl]oxirane
CID 21225255
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
2-(8-methylnon-1-enoxymethyl)oxirane
CID 140713712
2-(pent-1-enoxymethyl)oxirane
CID 54343228
2-(4-methoxybutoxymethyl)oxirane
CID 58151519
2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxymethyl]oxirane
CID 91036446
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
4-(oxiran-2-ylmethoxy)butanal
CID 130035939
2-(4-iodobutoxymethyl)oxirane
CID 86146091

Frequently Asked Questions

What is the IUPAC name of 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane?
The IUPAC name of 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane (CID 57121799) is 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane.
What is the SMILES notation for 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane?
The canonical SMILES for 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane is C(=COCC1CO1)CCCCOCC1CO1.
What is the InChIKey of 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane?
The InChIKey is KQYMPZICQTTXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1(3-5-13-7-11-9-15-11)2-4-6-14-8-12-10-16-12/h3,5,11-12H,1-2,4,6-10H2.
What are the key properties of 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane?
2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane has a molecular weight of 228.29 g/mol, XLogP of 1.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(oxiran-2-ylmethoxy)hex-1-enoxymethyl]oxirane is sourced from PubChem (CID 57121799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).