5-[(E)-prop-1-enyl]sulfanyloctan-4-one

C11H20OS — CID 142132907

IUPAC5-[(E)-prop-1-enyl]sulfanyloctan-4-one
SMILESC/C=C/SC(CCC)C(=O)CCC
InChIInChI=1S/C11H20OS/c1-4-7-10(12)11(8-5-2)13-9-6-3/h6,9,11H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyUDMJWCZQAXPIEO-RMKNXTFCSA-N
MW200.35 g/mol
LogP3.79
Rot. Bonds7

About 5-[(E)-prop-1-enyl]sulfanyloctan-4-one

5-[(E)-prop-1-enyl]sulfanyloctan-4-one (PubChem CID 142132907) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]sulfanyloctan-4-one.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]sulfanyloctan-4-one
PubChem CID142132907
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name5-[(E)-prop-1-enyl]sulfanyloctan-4-one
SMILESC/C=C/SC(CCC)C(=O)CCC
InChIInChI=1S/C11H20OS/c1-4-7-10(12)11(8-5-2)13-9-6-3/h6,9,11H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyUDMJWCZQAXPIEO-RMKNXTFCSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]sulfanyloctan-4-one?
The IUPAC name of 5-[(E)-prop-1-enyl]sulfanyloctan-4-one (CID 142132907) is 5-[(E)-prop-1-enyl]sulfanyloctan-4-one.
What is the SMILES notation for 5-[(E)-prop-1-enyl]sulfanyloctan-4-one?
The canonical SMILES for 5-[(E)-prop-1-enyl]sulfanyloctan-4-one is C/C=C/SC(CCC)C(=O)CCC.
What is the InChIKey of 5-[(E)-prop-1-enyl]sulfanyloctan-4-one?
The InChIKey is UDMJWCZQAXPIEO-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H20OS/c1-4-7-10(12)11(8-5-2)13-9-6-3/h6,9,11H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of 5-[(E)-prop-1-enyl]sulfanyloctan-4-one?
5-[(E)-prop-1-enyl]sulfanyloctan-4-one has a molecular weight of 200.35 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]sulfanyloctan-4-one is sourced from PubChem (CID 142132907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).