3-(3-methoxypropylsulfinyl)cyclopentan-1-one

C9H16O3S — CID 64724920

IUPAC3-(3-methoxypropylsulfinyl)cyclopentan-1-one
SMILESCOCCCS(=O)C1CCC(=O)C1
InChIInChI=1S/C9H16O3S/c1-12-5-2-6-13(11)9-4-3-8(10)7-9/h9H,2-7H2,1H3
InChIKeyPKKDXIDFMQQPHU-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.89
Rot. Bonds5

About 3-(3-methoxypropylsulfinyl)cyclopentan-1-one

3-(3-methoxypropylsulfinyl)cyclopentan-1-one (PubChem CID 64724920) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-(3-methoxypropylsulfinyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3-methoxypropylsulfinyl)cyclopentan-1-one
PubChem CID64724920
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name3-(3-methoxypropylsulfinyl)cyclopentan-1-one
SMILESCOCCCS(=O)C1CCC(=O)C1
InChIInChI=1S/C9H16O3S/c1-12-5-2-6-13(11)9-4-3-8(10)7-9/h9H,2-7H2,1H3
InChIKeyPKKDXIDFMQQPHU-UHFFFAOYSA-N
XLogP0.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylsulfinyl)cyclopentan-1-one?
The IUPAC name of 3-(3-methoxypropylsulfinyl)cyclopentan-1-one (CID 64724920) is 3-(3-methoxypropylsulfinyl)cyclopentan-1-one.
What is the SMILES notation for 3-(3-methoxypropylsulfinyl)cyclopentan-1-one?
The canonical SMILES for 3-(3-methoxypropylsulfinyl)cyclopentan-1-one is COCCCS(=O)C1CCC(=O)C1.
What is the InChIKey of 3-(3-methoxypropylsulfinyl)cyclopentan-1-one?
The InChIKey is PKKDXIDFMQQPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-12-5-2-6-13(11)9-4-3-8(10)7-9/h9H,2-7H2,1H3.
What are the key properties of 3-(3-methoxypropylsulfinyl)cyclopentan-1-one?
3-(3-methoxypropylsulfinyl)cyclopentan-1-one has a molecular weight of 204.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylsulfinyl)cyclopentan-1-one is sourced from PubChem (CID 64724920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).