(1E)-1-phenylsulfanylcyclopentadecene

C21H32S — CID 102369747

IUPAC(1E)-1-phenylsulfanylcyclopentadecene
SMILESC1=C(/Sc2ccccc2)CCCCCCCCCCCCC/1
InChIInChI=1S/C21H32S/c1-2-4-6-8-10-13-17-20(16-12-9-7-5-3-1)22-21-18-14-11-15-19-21/h11,14-16,18-19H,1-10,12-13,17H2/b20-16+
InChIKeyIYUVUESNPKWVJI-CAPFRKAQSA-N
MW316.55 g/mol
LogP7.75
Rot. Bonds2

About (1E)-1-phenylsulfanylcyclopentadecene

(1E)-1-phenylsulfanylcyclopentadecene (PubChem CID 102369747) has the molecular formula C21H32S and a molecular weight of 316.55 g/mol. Its IUPAC name is (1E)-1-phenylsulfanylcyclopentadecene.

Molecular Properties

Compound Name(1E)-1-phenylsulfanylcyclopentadecene
PubChem CID102369747
Molecular FormulaC21H32S
Molecular Weight316.55 g/mol
Exact Mass316.22
IUPAC Name(1E)-1-phenylsulfanylcyclopentadecene
SMILESC1=C(/Sc2ccccc2)CCCCCCCCCCCCC/1
InChIInChI=1S/C21H32S/c1-2-4-6-8-10-13-17-20(16-12-9-7-5-3-1)22-21-18-14-11-15-19-21/h11,14-16,18-19H,1-10,12-13,17H2/b20-16+
InChIKeyIYUVUESNPKWVJI-CAPFRKAQSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.55
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-phenylsulfanylcyclopentadecene?
The IUPAC name of (1E)-1-phenylsulfanylcyclopentadecene (CID 102369747) is (1E)-1-phenylsulfanylcyclopentadecene.
What is the SMILES notation for (1E)-1-phenylsulfanylcyclopentadecene?
The canonical SMILES for (1E)-1-phenylsulfanylcyclopentadecene is C1=C(/Sc2ccccc2)CCCCCCCCCCCCC/1.
What is the InChIKey of (1E)-1-phenylsulfanylcyclopentadecene?
The InChIKey is IYUVUESNPKWVJI-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H32S/c1-2-4-6-8-10-13-17-20(16-12-9-7-5-3-1)22-21-18-14-11-15-19-21/h11,14-16,18-19H,1-10,12-13,17H2/b20-16+.
What are the key properties of (1E)-1-phenylsulfanylcyclopentadecene?
(1E)-1-phenylsulfanylcyclopentadecene has a molecular weight of 316.55 g/mol, XLogP of 7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-phenylsulfanylcyclopentadecene is sourced from PubChem (CID 102369747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).