(6Z)-1-oxa-4-thiacycloundec-6-en-2-one

C9H14O2S — CID 14660798

IUPAC(6Z)-1-oxa-4-thiacycloundec-6-en-2-one
SMILESO=C1CSC/C=C\CCCCO1
InChIInChI=1S/C9H14O2S/c10-9-8-12-7-5-3-1-2-4-6-11-9/h3,5H,1-2,4,6-8H2/b5-3-
InChIKeyKMKJMBSXPCBEPL-HYXAFXHYSA-N
MW186.28 g/mol
LogP2.00
Rot. Bonds

About (6Z)-1-oxa-4-thiacycloundec-6-en-2-one

(6Z)-1-oxa-4-thiacycloundec-6-en-2-one (PubChem CID 14660798) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is (6Z)-1-oxa-4-thiacycloundec-6-en-2-one.

Molecular Properties

Compound Name(6Z)-1-oxa-4-thiacycloundec-6-en-2-one
PubChem CID14660798
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name(6Z)-1-oxa-4-thiacycloundec-6-en-2-one
SMILESO=C1CSC/C=C\CCCCO1
InChIInChI=1S/C9H14O2S/c10-9-8-12-7-5-3-1-2-4-6-11-9/h3,5H,1-2,4,6-8H2/b5-3-
InChIKeyKMKJMBSXPCBEPL-HYXAFXHYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (6Z)-1-oxa-4-thiacycloundec-6-en-2-one?
The IUPAC name of (6Z)-1-oxa-4-thiacycloundec-6-en-2-one (CID 14660798) is (6Z)-1-oxa-4-thiacycloundec-6-en-2-one.
What is the SMILES notation for (6Z)-1-oxa-4-thiacycloundec-6-en-2-one?
The canonical SMILES for (6Z)-1-oxa-4-thiacycloundec-6-en-2-one is O=C1CSC/C=C\CCCCO1.
What is the InChIKey of (6Z)-1-oxa-4-thiacycloundec-6-en-2-one?
The InChIKey is KMKJMBSXPCBEPL-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H14O2S/c10-9-8-12-7-5-3-1-2-4-6-11-9/h3,5H,1-2,4,6-8H2/b5-3-.
What are the key properties of (6Z)-1-oxa-4-thiacycloundec-6-en-2-one?
(6Z)-1-oxa-4-thiacycloundec-6-en-2-one has a molecular weight of 186.28 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-oxa-4-thiacycloundec-6-en-2-one is sourced from PubChem (CID 14660798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).