1,1-diethoxyethane;2-methylpropanedial

C10H20O4 — CID 88830026

IUPAC1,1-diethoxyethane;2-methylpropanedial
SMILESCC(C=O)C=O.CCOC(C)OCC
InChIInChI=1S/C6H14O2.C4H6O2/c1-4-7-6(3)8-5-2;1-4(2-5)3-6/h6H,4-5H2,1-3H3;2-4H,1H3
InChIKeyRGGLWYGTEJBFKY-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds6

About 1,1-diethoxyethane;2-methylpropanedial

1,1-diethoxyethane;2-methylpropanedial (PubChem CID 88830026) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,1-diethoxyethane;2-methylpropanedial.

Molecular Properties

Compound Name1,1-diethoxyethane;2-methylpropanedial
PubChem CID88830026
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name1,1-diethoxyethane;2-methylpropanedial
SMILESCC(C=O)C=O.CCOC(C)OCC
InChIInChI=1S/C6H14O2.C4H6O2/c1-4-7-6(3)8-5-2;1-4(2-5)3-6/h6H,4-5H2,1-3H3;2-4H,1H3
InChIKeyRGGLWYGTEJBFKY-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxyethane
CID 7765
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
2-bromopropanal;cyclopropane;1,1-diethoxyethane
CID 87882353
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
2-bromoacetaldehyde;1,1-diethoxyethane;ethene
CID 87787901
carbonic acid;1,1-diethoxyethane
CID 87827362
acetaldehyde;1,1-diethoxyethane;propane-1,2-diol
CID 87169922
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
cyclopropane;1,1-diethoxyethane
CID 67020569
butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide
CID 88675632

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;2-methylpropanedial?
The IUPAC name of 1,1-diethoxyethane;2-methylpropanedial (CID 88830026) is 1,1-diethoxyethane;2-methylpropanedial.
What is the SMILES notation for 1,1-diethoxyethane;2-methylpropanedial?
The canonical SMILES for 1,1-diethoxyethane;2-methylpropanedial is CC(C=O)C=O.CCOC(C)OCC.
What is the InChIKey of 1,1-diethoxyethane;2-methylpropanedial?
The InChIKey is RGGLWYGTEJBFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H6O2/c1-4-7-6(3)8-5-2;1-4(2-5)3-6/h6H,4-5H2,1-3H3;2-4H,1H3.
What are the key properties of 1,1-diethoxyethane;2-methylpropanedial?
1,1-diethoxyethane;2-methylpropanedial has a molecular weight of 204.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;2-methylpropanedial is sourced from PubChem (CID 88830026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).