(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane

C12H22O5 — CID 97031068

IUPAC(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
SMILESC[C@H](COC[C@@H]1CO1)O[C@@H](C)COC[C@@H]1CO1
InChIInChI=1S/C12H22O5/c1-9(3-13-5-11-7-15-11)17-10(2)4-14-6-12-8-16-12/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKeyHRYJRCRQCUEFLB-WRWGMCAJSA-N
MW246.30 g/mol
LogP0.61
Rot. Bonds10

About (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane

(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane (PubChem CID 97031068) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
PubChem CID97031068
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane
SMILESC[C@H](COC[C@@H]1CO1)O[C@@H](C)COC[C@@H]1CO1
InChIInChI=1S/C12H22O5/c1-9(3-13-5-11-7-15-11)17-10(2)4-14-6-12-8-16-12/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKeyHRYJRCRQCUEFLB-WRWGMCAJSA-N
XLogP0.61
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
CID 142609718
2-[1-(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;prop-2-enoic acid
CID 87064307
(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-[[2,5-dimethyl-4-(oxiran-2-ylmethoxymethyl)hexoxy]methyl]oxirane
CID 57060405
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
methoxy-dimethyl-[2-methyl-3-(oxiran-2-ylmethoxy)propyl]silane
CID 87766586
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane
CID 134464354
1-ethenoxy-2-methylpropane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174399004
2-[2-(oxiran-2-ylmethoxymethyl)heptoxymethyl]oxirane
CID 87215006

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane?
The IUPAC name of (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane (CID 97031068) is (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane.
What is the SMILES notation for (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane?
The canonical SMILES for (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane is C[C@H](COC[C@@H]1CO1)O[C@@H](C)COC[C@@H]1CO1.
What is the InChIKey of (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane?
The InChIKey is HRYJRCRQCUEFLB-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H22O5/c1-9(3-13-5-11-7-15-11)17-10(2)4-14-6-12-8-16-12/h9-12H,3-8H2,1-2H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane?
(2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane has a molecular weight of 246.30 g/mol, XLogP of 0.61, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[(2R)-1-[[(2S)-oxiran-2-yl]methoxy]propan-2-yl]oxypropoxy]methyl]oxirane is sourced from PubChem (CID 97031068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).