(10R)-10-phenylsulfanylcyclodec-5-en-1-one

C16H20OS — CID 827474

IUPAC(10R)-10-phenylsulfanylcyclodec-5-en-1-one
SMILESO=C1CCCC=CCCC[C@H]1Sc1ccccc1
InChIInChI=1S/C16H20OS/c17-15-12-8-3-1-2-4-9-13-16(15)18-14-10-6-5-7-11-14/h1-2,5-7,10-11,16H,3-4,8-9,12-13H2/t16-/m1/s1
InChIKeyZKBWYACTIRITFF-MRXNPFEDSA-N
MW260.40 g/mol
LogP4.63
Rot. Bonds2

About (10R)-10-phenylsulfanylcyclodec-5-en-1-one

(10R)-10-phenylsulfanylcyclodec-5-en-1-one (PubChem CID 827474) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is (10R)-10-phenylsulfanylcyclodec-5-en-1-one.

Molecular Properties

Compound Name(10R)-10-phenylsulfanylcyclodec-5-en-1-one
PubChem CID827474
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name(10R)-10-phenylsulfanylcyclodec-5-en-1-one
SMILESO=C1CCCC=CCCC[C@H]1Sc1ccccc1
InChIInChI=1S/C16H20OS/c17-15-12-8-3-1-2-4-9-13-16(15)18-14-10-6-5-7-11-14/h1-2,5-7,10-11,16H,3-4,8-9,12-13H2/t16-/m1/s1
InChIKeyZKBWYACTIRITFF-MRXNPFEDSA-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 (10R)-10-phenylsulfanylcyclodec-5-en-1-one?
The IUPAC name of (10R)-10-phenylsulfanylcyclodec-5-en-1-one (CID 827474) is (10R)-10-phenylsulfanylcyclodec-5-en-1-one.
What is the SMILES notation for (10R)-10-phenylsulfanylcyclodec-5-en-1-one?
The canonical SMILES for (10R)-10-phenylsulfanylcyclodec-5-en-1-one is O=C1CCCC=CCCC[C@H]1Sc1ccccc1.
What is the InChIKey of (10R)-10-phenylsulfanylcyclodec-5-en-1-one?
The InChIKey is ZKBWYACTIRITFF-MRXNPFEDSA-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/h1-2,5-7,10-11,16H,3-4,8-9,12-13H2/t16-/m1/s1.
What are the key properties of (10R)-10-phenylsulfanylcyclodec-5-en-1-one?
(10R)-10-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 (10R)-10-phenylsulfanylcyclodec-5-en-1-one is sourced from PubChem (CID 827474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).