2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one

C10H20O6 — CID 161372336

IUPAC2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one
SMILESCOC(C)(C=O)OC.COC(OC)C(C)=O
InChIInChI=1S/2C5H10O3/c1-5(4-6,7-2)8-3;1-4(6)5(7-2)8-3/h4H,1-3H3;5H,1-3H3
InChIKeyVQPXFAOKRVNYLV-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.39
Rot. Bonds6

About 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one

2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one (PubChem CID 161372336) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one.

Molecular Properties

Compound Name2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one
PubChem CID161372336
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one
SMILESCOC(C)(C=O)OC.COC(OC)C(C)=O
InChIInChI=1S/2C5H10O3/c1-5(4-6,7-2)8-3;1-4(6)5(7-2)8-3/h4H,1-3H3;5H,1-3H3
InChIKeyVQPXFAOKRVNYLV-UHFFFAOYSA-N
XLogP0.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one?
The IUPAC name of 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one (CID 161372336) is 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one.
What is the SMILES notation for 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one?
The canonical SMILES for 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one is COC(C)(C=O)OC.COC(OC)C(C)=O.
What is the InChIKey of 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one?
The InChIKey is VQPXFAOKRVNYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O3/c1-5(4-6,7-2)8-3;1-4(6)5(7-2)8-3/h4H,1-3H3;5H,1-3H3.
What are the key properties of 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one?
2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one has a molecular weight of 236.26 g/mol, XLogP of 0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropanal;1,1-dimethoxypropan-2-one is sourced from PubChem (CID 161372336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).