(5E)-2-phenylsulfanylcyclodec-5-en-1-one

C16H20OS — CID 117070710

IUPAC(5E)-2-phenylsulfanylcyclodec-5-en-1-one
SMILESO=C1CCCC/C=C/CCC1Sc1ccccc1
InChIInChI=1S/C16H20OS/c17-15-12-8-3-1-2-4-9-13-16(15)18-14-10-6-5-7-11-14/h2,4-7,10-11,16H,1,3,8-9,12-13H2/b4-2+
InChIKeyWOOUKHDJJJGOFY-DUXPYHPUSA-N
MW260.40 g/mol
LogP4.63
Rot. Bonds2

About (5E)-2-phenylsulfanylcyclodec-5-en-1-one

(5E)-2-phenylsulfanylcyclodec-5-en-1-one (PubChem CID 117070710) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is (5E)-2-phenylsulfanylcyclodec-5-en-1-one.

Molecular Properties

Compound Name(5E)-2-phenylsulfanylcyclodec-5-en-1-one
PubChem CID117070710
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name(5E)-2-phenylsulfanylcyclodec-5-en-1-one
SMILESO=C1CCCC/C=C/CCC1Sc1ccccc1
InChIInChI=1S/C16H20OS/c17-15-12-8-3-1-2-4-9-13-16(15)18-14-10-6-5-7-11-14/h2,4-7,10-11,16H,1,3,8-9,12-13H2/b4-2+
InChIKeyWOOUKHDJJJGOFY-DUXPYHPUSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.63
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 (5E)-2-phenylsulfanylcyclodec-5-en-1-one?
The IUPAC name of (5E)-2-phenylsulfanylcyclodec-5-en-1-one (CID 117070710) is (5E)-2-phenylsulfanylcyclodec-5-en-1-one.
What is the SMILES notation for (5E)-2-phenylsulfanylcyclodec-5-en-1-one?
The canonical SMILES for (5E)-2-phenylsulfanylcyclodec-5-en-1-one is O=C1CCCC/C=C/CCC1Sc1ccccc1.
What is the InChIKey of (5E)-2-phenylsulfanylcyclodec-5-en-1-one?
The InChIKey is WOOUKHDJJJGOFY-DUXPYHPUSA-N. The full InChI is InChI=1S/C16H20OS/c17-15-12-8-3-1-2-4-9-13-16(15)18-14-10-6-5-7-11-14/h2,4-7,10-11,16H,1,3,8-9,12-13H2/b4-2+.
What are the key properties of (5E)-2-phenylsulfanylcyclodec-5-en-1-one?
(5E)-2-phenylsulfanylcyclodec-5-en-1-one has a molecular weight of 260.40 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-phenylsulfanylcyclodec-5-en-1-one is sourced from PubChem (CID 117070710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).