4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan

C10H16OS — CID 163645589

IUPAC4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan
SMILESC=CCCC1CSC2OCCC12
InChIInChI=1S/C10H16OS/c1-2-3-4-8-7-12-10-9(8)5-6-11-10/h2,8-10H,1,3-7H2
InChIKeyIHXYZIVBFMLDKN-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.68
Rot. Bonds3

About 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan

4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan (PubChem CID 163645589) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan.

Molecular Properties

Compound Name4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan
PubChem CID163645589
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan
SMILESC=CCCC1CSC2OCCC12
InChIInChI=1S/C10H16OS/c1-2-3-4-8-7-12-10-9(8)5-6-11-10/h2,8-10H,1,3-7H2
InChIKeyIHXYZIVBFMLDKN-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan?
The IUPAC name of 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan (CID 163645589) is 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan.
What is the SMILES notation for 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan?
The canonical SMILES for 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan is C=CCCC1CSC2OCCC12.
What is the InChIKey of 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan?
The InChIKey is IHXYZIVBFMLDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-3-4-8-7-12-10-9(8)5-6-11-10/h2,8-10H,1,3-7H2.
What are the key properties of 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan?
4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan has a molecular weight of 184.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-2,3,3a,4,5,6a-hexahydrothieno[2,3-b]furan is sourced from PubChem (CID 163645589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).