2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane

C12H22O4 — CID 71413330

IUPAC2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
SMILESCCCCC(COCC1CO1)OCC1CO1
InChIInChI=1S/C12H22O4/c1-2-3-4-10(14-8-12-9-16-12)5-13-6-11-7-15-11/h10-12H,2-9H2,1H3
InChIKeyGTXWXSDCWNNXEM-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.38
Rot. Bonds10

About 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane

2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane (PubChem CID 71413330) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
PubChem CID71413330
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
SMILESCCCCC(COCC1CO1)OCC1CO1
InChIInChI=1S/C12H22O4/c1-2-3-4-10(14-8-12-9-16-12)5-13-6-11-7-15-11/h10-12H,2-9H2,1H3
InChIKeyGTXWXSDCWNNXEM-UHFFFAOYSA-N
XLogP1.38
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)hexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59991511
(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
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 134214462
2-[[5,5,5-trifluoro-1-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 139989516
2-[1,3-bis(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 160886670
2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
CID 87215006
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933
(2S)-2-[2-[(2S)-2-(methoxymethoxy)undecoxy]ethoxymethyl]oxirane
CID 177425326

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane?
The IUPAC name of 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane (CID 71413330) is 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane.
What is the SMILES notation for 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane?
The canonical SMILES for 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane is CCCCC(COCC1CO1)OCC1CO1.
What is the InChIKey of 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane?
The InChIKey is GTXWXSDCWNNXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-2-3-4-10(14-8-12-9-16-12)5-13-6-11-7-15-11/h10-12H,2-9H2,1H3.
What are the key properties of 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane?
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane has a molecular weight of 230.30 g/mol, XLogP of 1.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane is sourced from PubChem (CID 71413330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).