1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane

C12H22O4 — CID 174399004

IUPAC1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=COCC(C)C
InChIInChI=1S/C6H10O3.C6H12O/c1(5-3-8-5)7-2-6-4-9-6;1-4-7-5-6(2)3/h5-6H,1-4H2;4,6H,1,5H2,2-3H3
InChIKeyLGLYZQTXLDYMRQ-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.60
Rot. Bonds7

About 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane

1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174399004) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174399004
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=COCC(C)C
InChIInChI=1S/C6H10O3.C6H12O/c1(5-3-8-5)7-2-6-4-9-6;1-4-7-5-6(2)3/h5-6H,1-4H2;4,6H,1,5H2,2-3H3
InChIKeyLGLYZQTXLDYMRQ-UHFFFAOYSA-N
XLogP1.60
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(oxiran-2-yl)propan-2-one;1-ethenoxy-2-methylpropane
CID 160868467
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane
CID 15527223
1-ethenoxy-2-methylpropane;methanol
CID 174857186
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
CID 97031068
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174399004) is 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=COCC(C)C.
What is the InChIKey of 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is LGLYZQTXLDYMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H12O/c1(5-3-8-5)7-2-6-4-9-6;1-4-7-5-6(2)3/h5-6H,1-4H2;4,6H,1,5H2,2-3H3.
What are the key properties of 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane?
1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 230.30 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174399004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).