2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane

C14H22O4 — CID 159306249

IUPAC2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane
SMILESC=CC(CC=CCOCC1CO1)COCC1CO1
InChIInChI=1S/C14H22O4/c1-2-12(7-16-9-14-11-18-14)5-3-4-6-15-8-13-10-17-13/h2-4,12-14H,1,5-11H2
InChIKeyYWDDUURJXPOAKF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.57
Rot. Bonds11

About 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane

2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane (PubChem CID 159306249) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane
PubChem CID159306249
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane
SMILESC=CC(CC=CCOCC1CO1)COCC1CO1
InChIInChI=1S/C14H22O4/c1-2-12(7-16-9-14-11-18-14)5-3-4-6-15-8-13-10-17-13/h2-4,12-14H,1,5-11H2
InChIKeyYWDDUURJXPOAKF-UHFFFAOYSA-N
XLogP1.57
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane with MolForge

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Related Compounds

2-(penta-2,4-dienoxymethyl)oxirane
CID 141258620
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
4-(oxiran-2-ylmethoxy)but-2-en-1-ol
CID 91168498
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-(pentadec-2-enoxymethyl)oxirane
CID 175115833
trimethoxy-[3-(oxiran-2-ylmethoxy)prop-1-enyl]silane
CID 140795789
(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174399004

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane?
The IUPAC name of 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane (CID 159306249) is 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane is C=CC(CC=CCOCC1CO1)COCC1CO1.
What is the InChIKey of 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane?
The InChIKey is YWDDUURJXPOAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-2-12(7-16-9-14-11-18-14)5-3-4-6-15-8-13-10-17-13/h2-4,12-14H,1,5-11H2.
What are the key properties of 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane?
2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane has a molecular weight of 254.33 g/mol, XLogP of 1.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethenyl-6-(oxiran-2-ylmethoxy)hex-4-enoxy]methyl]oxirane is sourced from PubChem (CID 159306249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).