1,1-diethoxyethane;2-methylprop-2-enal

C10H20O3 — CID 87983040

IUPAC1,1-diethoxyethane;2-methylprop-2-enal
SMILESC=C(C)C=O.CCOC(C)OCC
InChIInChI=1S/C6H14O2.C4H6O/c1-4-7-6(3)8-5-2;1-4(2)3-5/h6H,4-5H2,1-3H3;3H,1H2,2H3
InChIKeyBWAYRYNMJSQDON-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.17
Rot. Bonds5

About 1,1-diethoxyethane;2-methylprop-2-enal

1,1-diethoxyethane;2-methylprop-2-enal (PubChem CID 87983040) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,1-diethoxyethane;2-methylprop-2-enal.

Molecular Properties

Compound Name1,1-diethoxyethane;2-methylprop-2-enal
PubChem CID87983040
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1,1-diethoxyethane;2-methylprop-2-enal
SMILESC=C(C)C=O.CCOC(C)OCC
InChIInChI=1S/C6H14O2.C4H6O/c1-4-7-6(3)8-5-2;1-4(2)3-5/h6H,4-5H2,1-3H3;3H,1H2,2H3
InChIKeyBWAYRYNMJSQDON-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;2-methylprop-2-enal?
The IUPAC name of 1,1-diethoxyethane;2-methylprop-2-enal (CID 87983040) is 1,1-diethoxyethane;2-methylprop-2-enal.
What is the SMILES notation for 1,1-diethoxyethane;2-methylprop-2-enal?
The canonical SMILES for 1,1-diethoxyethane;2-methylprop-2-enal is C=C(C)C=O.CCOC(C)OCC.
What is the InChIKey of 1,1-diethoxyethane;2-methylprop-2-enal?
The InChIKey is BWAYRYNMJSQDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H6O/c1-4-7-6(3)8-5-2;1-4(2)3-5/h6H,4-5H2,1-3H3;3H,1H2,2H3.
What are the key properties of 1,1-diethoxyethane;2-methylprop-2-enal?
1,1-diethoxyethane;2-methylprop-2-enal has a molecular weight of 188.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;2-methylprop-2-enal is sourced from PubChem (CID 87983040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).