(Z)-4-methylsulfinylundec-3-en-5-one

C12H22O2S — CID 88799571

IUPAC(Z)-4-methylsulfinylundec-3-en-5-one
SMILESCC/C=C(/C(=O)CCCCCC)S(C)=O
InChIInChI=1S/C12H22O2S/c1-4-6-7-8-10-11(13)12(9-5-2)15(3)14/h9H,4-8,10H2,1-3H3/b12-9-
InChIKeyVSEUKZKBOKQDKY-XFXZXTDPSA-N
MW230.37 g/mol
LogP3.20
Rot. Bonds8

About (Z)-4-methylsulfinylundec-3-en-5-one

(Z)-4-methylsulfinylundec-3-en-5-one (PubChem CID 88799571) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is (Z)-4-methylsulfinylundec-3-en-5-one.

Molecular Properties

Compound Name(Z)-4-methylsulfinylundec-3-en-5-one
PubChem CID88799571
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name(Z)-4-methylsulfinylundec-3-en-5-one
SMILESCC/C=C(/C(=O)CCCCCC)S(C)=O
InChIInChI=1S/C12H22O2S/c1-4-6-7-8-10-11(13)12(9-5-2)15(3)14/h9H,4-8,10H2,1-3H3/b12-9-
InChIKeyVSEUKZKBOKQDKY-XFXZXTDPSA-N
XLogP3.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methylsulfinylundec-3-en-5-one?
The IUPAC name of (Z)-4-methylsulfinylundec-3-en-5-one (CID 88799571) is (Z)-4-methylsulfinylundec-3-en-5-one.
What is the SMILES notation for (Z)-4-methylsulfinylundec-3-en-5-one?
The canonical SMILES for (Z)-4-methylsulfinylundec-3-en-5-one is CC/C=C(/C(=O)CCCCCC)S(C)=O.
What is the InChIKey of (Z)-4-methylsulfinylundec-3-en-5-one?
The InChIKey is VSEUKZKBOKQDKY-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H22O2S/c1-4-6-7-8-10-11(13)12(9-5-2)15(3)14/h9H,4-8,10H2,1-3H3/b12-9-.
What are the key properties of (Z)-4-methylsulfinylundec-3-en-5-one?
(Z)-4-methylsulfinylundec-3-en-5-one has a molecular weight of 230.37 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methylsulfinylundec-3-en-5-one is sourced from PubChem (CID 88799571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).