6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

C16H20OS — CID 139984063

IUPAC6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESC=CCC12CCCC1(Sc1ccccc1)OCC2
InChIInChI=1S/C16H20OS/c1-2-9-15-10-6-11-16(15,17-13-12-15)18-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2
InChIKeyFOWYGXLUJPCGAZ-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.64
Rot. Bonds4

About 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 139984063) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
PubChem CID139984063
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESC=CCC12CCCC1(Sc1ccccc1)OCC2
InChIInChI=1S/C16H20OS/c1-2-9-15-10-6-11-16(15,17-13-12-15)18-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2
InChIKeyFOWYGXLUJPCGAZ-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.64
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 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (CID 139984063) is 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is C=CCC12CCCC1(Sc1ccccc1)OCC2.
What is the InChIKey of 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is FOWYGXLUJPCGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-2-9-15-10-6-11-16(15,17-13-12-15)18-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2.
What are the key properties of 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 260.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-phenylsulfanyl-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 139984063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).