1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde

C10H14O4S — CID 88766542

IUPAC1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde
SMILESCOC(C)OC.O=Cc1ccsc1C=O
InChIInChI=1S/C6H4O2S.C4H10O2/c7-3-5-1-2-9-6(5)4-8;1-4(5-2)6-3/h1-4H;4H,1-3H3
InChIKeyDVHATIZVMLDVCU-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.00
Rot. Bonds4

About 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde

1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde (PubChem CID 88766542) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde
PubChem CID88766542
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde
SMILESCOC(C)OC.O=Cc1ccsc1C=O
InChIInChI=1S/C6H4O2S.C4H10O2/c7-3-5-1-2-9-6(5)4-8;1-4(5-2)6-3/h1-4H;4H,1-3H3
InChIKeyDVHATIZVMLDVCU-UHFFFAOYSA-N
XLogP2.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde?
The IUPAC name of 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde (CID 88766542) is 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde.
What is the SMILES notation for 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde?
The canonical SMILES for 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde is COC(C)OC.O=Cc1ccsc1C=O.
What is the InChIKey of 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde?
The InChIKey is DVHATIZVMLDVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2S.C4H10O2/c7-3-5-1-2-9-6(5)4-8;1-4(5-2)6-3/h1-4H;4H,1-3H3.
What are the key properties of 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde?
1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde has a molecular weight of 230.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde is sourced from PubChem (CID 88766542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).