1,1-diethoxyethane;methane;propane-1,2,3-triol

C10H26O5 — CID 90107522

IUPAC1,1-diethoxyethane;methane;propane-1,2,3-triol
SMILESC.CCOC(C)OCC.OCC(O)CO
InChIInChI=1S/C6H14O2.C3H8O3.CH4/c1-4-7-6(3)8-5-2;4-1-3(6)2-5;/h6H,4-5H2,1-3H3;3-6H,1-2H2;1H4
InChIKeyBMFSURYFVQXWGE-UHFFFAOYSA-N
MW226.31 g/mol
LogP0.37
Rot. Bonds6

About 1,1-diethoxyethane;methane;propane-1,2,3-triol

1,1-diethoxyethane;methane;propane-1,2,3-triol (PubChem CID 90107522) has the molecular formula C10H26O5 and a molecular weight of 226.31 g/mol. Its IUPAC name is 1,1-diethoxyethane;methane;propane-1,2,3-triol.

Molecular Properties

Compound Name1,1-diethoxyethane;methane;propane-1,2,3-triol
PubChem CID90107522
Molecular FormulaC10H26O5
Molecular Weight226.31 g/mol
Exact Mass226.18
IUPAC Name1,1-diethoxyethane;methane;propane-1,2,3-triol
SMILESC.CCOC(C)OCC.OCC(O)CO
InChIInChI=1S/C6H14O2.C3H8O3.CH4/c1-4-7-6(3)8-5-2;4-1-3(6)2-5;/h6H,4-5H2,1-3H3;3-6H,1-2H2;1H4
InChIKeyBMFSURYFVQXWGE-UHFFFAOYSA-N
XLogP0.37
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxyethane
CID 7765
acetaldehyde;1,1-diethoxyethane;propane-1,2-diol
CID 87169922
1,1-diethoxyethane;sulfane
CID 87563963
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;2-phenylacetaldehyde;propane-1,2,3-triol
CID 87067731
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
1,1-diethoxyethane;3,7-dimethylocta-2,6-dienal;propane-1,2,3-triol
CID 88617273
carbonic acid;1,1-diethoxyethane
CID 87827362
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;methane;propane-1,2,3-triol?
The IUPAC name of 1,1-diethoxyethane;methane;propane-1,2,3-triol (CID 90107522) is 1,1-diethoxyethane;methane;propane-1,2,3-triol.
What is the SMILES notation for 1,1-diethoxyethane;methane;propane-1,2,3-triol?
The canonical SMILES for 1,1-diethoxyethane;methane;propane-1,2,3-triol is C.CCOC(C)OCC.OCC(O)CO.
What is the InChIKey of 1,1-diethoxyethane;methane;propane-1,2,3-triol?
The InChIKey is BMFSURYFVQXWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C3H8O3.CH4/c1-4-7-6(3)8-5-2;4-1-3(6)2-5;/h6H,4-5H2,1-3H3;3-6H,1-2H2;1H4.
What are the key properties of 1,1-diethoxyethane;methane;propane-1,2,3-triol?
1,1-diethoxyethane;methane;propane-1,2,3-triol has a molecular weight of 226.31 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;methane;propane-1,2,3-triol is sourced from PubChem (CID 90107522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).