methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol

C13H30O7 — CID 162201980

IUPACmethane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol
SMILESC.C.C.OC(COCOCC1CO1)COCOC1CO1
InChIInChI=1S/C10H18O7.3CH4/c11-8(2-13-7-17-10-5-16-10)1-12-6-14-3-9-4-15-9;;;/h8-11H,1-7H2;3*1H4
InChIKeyZRSAGNXGRGIROU-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.99
Rot. Bonds11

About methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol

methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol (PubChem CID 162201980) has the molecular formula C13H30O7 and a molecular weight of 298.38 g/mol. Its IUPAC name is methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol.

Molecular Properties

Compound Namemethane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol
PubChem CID162201980
Molecular FormulaC13H30O7
Molecular Weight298.38 g/mol
Exact Mass298.20
IUPAC Namemethane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol
SMILESC.C.C.OC(COCOCC1CO1)COCOC1CO1
InChIInChI=1S/C10H18O7.3CH4/c11-8(2-13-7-17-10-5-16-10)1-12-6-14-3-9-4-15-9;;;/h8-11H,1-7H2;3*1H4
InChIKeyZRSAGNXGRGIROU-UHFFFAOYSA-N
XLogP0.99
TPSA82.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[2-hydroxy-3-(oxiran-2-ylmethoxymethoxy)propoxy]propoxy]-3-(3-methoxypropoxy)propan-2-ol
CID 175354226
1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol
CID 58856737
1-methoxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propan-2-ol;2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane
CID 162098827
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
bis(1-methanidyloxy-3-[3-(oxiran-2-ylmethoxy)propoxy]propan-2-ol);rutherfordium
CID 177273640
1-(oxiran-2-ylmethoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 139989474
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
CID 140652815
cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
CID 158042815
(2S)-2-(2-methylpropoxy)oxirane
CID 89027461
(2R)-2-(2-methylpropoxy)oxirane
CID 89027420

Frequently Asked Questions

What is the IUPAC name of methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol?
The IUPAC name of methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol (CID 162201980) is methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol.
What is the SMILES notation for methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol?
The canonical SMILES for methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol is C.C.C.OC(COCOCC1CO1)COCOC1CO1.
What is the InChIKey of methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol?
The InChIKey is ZRSAGNXGRGIROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7.3CH4/c11-8(2-13-7-17-10-5-16-10)1-12-6-14-3-9-4-15-9;;;/h8-11H,1-7H2;3*1H4.
What are the key properties of methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol?
methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol has a molecular weight of 298.38 g/mol, XLogP of 0.99, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(oxiran-2-ylmethoxymethoxy)-3-(oxiran-2-yloxymethoxy)propan-2-ol is sourced from PubChem (CID 162201980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).