dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol

C18H48O13 — CID 158574573

IUPACdimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol
SMILESC.C.CO.CO.COCOC.OC1COCOC1.OCC(O)CO.OCC1COCO1
InChIInChI=1S/2C4H8O3.C3H8O3.C3H8O2.2CH4O.2CH4/c5-4-1-6-3-7-2-4;5-1-4-2-6-3-7-4;4-1-3(6)2-5;1-4-3-5-2;2*1-2;;/h2*4-5H,1-3H2;3-6H,1-2H2;3H2,1-2H3;2*2H,1H3;2*1H4
InChIKeyHSMSKRBNWCWTKL-UHFFFAOYSA-N
MW472.57 g/mol
LogP-2.24
Rot. Bonds5

About dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol

dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol (PubChem CID 158574573) has the molecular formula C18H48O13 and a molecular weight of 472.57 g/mol. Its IUPAC name is dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol.

Molecular Properties

Compound Namedimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol
PubChem CID158574573
Molecular FormulaC18H48O13
Molecular Weight472.57 g/mol
Exact Mass472.31
IUPAC Namedimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol
SMILESC.C.CO.CO.COCOC.OC1COCOC1.OCC(O)CO.OCC1COCO1
InChIInChI=1S/2C4H8O3.C3H8O3.C3H8O2.2CH4O.2CH4/c5-4-1-6-3-7-2-4;5-1-4-2-6-3-7-4;4-1-3(6)2-5;1-4-3-5-2;2*1-2;;/h2*4-5H,1-3H2;3-6H,1-2H2;3H2,1-2H3;2*2H,1H3;2*1H4
InChIKeyHSMSKRBNWCWTKL-UHFFFAOYSA-N
XLogP-2.24
TPSA196.99 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500472.57
LogP ≤ 5-2.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol?
The IUPAC name of dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol (CID 158574573) is dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol.
What is the SMILES notation for dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol?
The canonical SMILES for dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol is C.C.CO.CO.COCOC.OC1COCOC1.OCC(O)CO.OCC1COCO1.
What is the InChIKey of dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol?
The InChIKey is HSMSKRBNWCWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O3.C3H8O3.C3H8O2.2CH4O.2CH4/c5-4-1-6-3-7-2-4;5-1-4-2-6-3-7-4;4-1-3(6)2-5;1-4-3-5-2;2*1-2;;/h2*4-5H,1-3H2;3-6H,1-2H2;3H2,1-2H3;2*2H,1H3;2*1H4.
What are the key properties of dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol?
dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol has a molecular weight of 472.57 g/mol, XLogP of -2.24, 5 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxymethane;1,3-dioxan-5-ol;1,3-dioxolan-4-ylmethanol;methane;methanol;propane-1,2,3-triol is sourced from PubChem (CID 158574573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).