1,1-diethoxyethane;thiophene

C10H18O2S — CID 69323416

IUPAC1,1-diethoxyethane;thiophene
SMILESCCOC(C)OCC.c1ccsc1
InChIInChI=1S/C6H14O2.C4H4S/c1-4-7-6(3)8-5-2;1-2-4-5-3-1/h6H,4-5H2,1-3H3;1-4H
InChIKeyMNNAVBSKLQFFLF-UHFFFAOYSA-N
MW202.32 g/mol
LogP3.15
Rot. Bonds4

About 1,1-diethoxyethane;thiophene

1,1-diethoxyethane;thiophene (PubChem CID 69323416) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 1,1-diethoxyethane;thiophene.

Molecular Properties

Compound Name1,1-diethoxyethane;thiophene
PubChem CID69323416
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name1,1-diethoxyethane;thiophene
SMILESCCOC(C)OCC.c1ccsc1
InChIInChI=1S/C6H14O2.C4H4S/c1-4-7-6(3)8-5-2;1-2-4-5-3-1/h6H,4-5H2,1-3H3;1-4H
InChIKeyMNNAVBSKLQFFLF-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1-diethoxyethane;thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;thiophene?
The IUPAC name of 1,1-diethoxyethane;thiophene (CID 69323416) is 1,1-diethoxyethane;thiophene.
What is the SMILES notation for 1,1-diethoxyethane;thiophene?
The canonical SMILES for 1,1-diethoxyethane;thiophene is CCOC(C)OCC.c1ccsc1.
What is the InChIKey of 1,1-diethoxyethane;thiophene?
The InChIKey is MNNAVBSKLQFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H4S/c1-4-7-6(3)8-5-2;1-2-4-5-3-1/h6H,4-5H2,1-3H3;1-4H.
What are the key properties of 1,1-diethoxyethane;thiophene?
1,1-diethoxyethane;thiophene has a molecular weight of 202.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;thiophene is sourced from PubChem (CID 69323416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).