2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one

C17H10O2S — CID 13402446

IUPAC2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one
SMILESO=C1c2ccccc2S(=O)c2cccc3cccc1c23
InChIInChI=1S/C17H10O2S/c18-17-12-7-1-2-9-14(12)20(19)15-10-4-6-11-5-3-8-13(17)16(11)15/h1-10H
InChIKeyALUZHULUDFCXEP-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.55
Rot. Bonds

About 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one

2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one (PubChem CID 13402446) has the molecular formula C17H10O2S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one.

Molecular Properties

Compound Name2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one
PubChem CID13402446
Molecular FormulaC17H10O2S
Molecular Weight278.33 g/mol
Exact Mass278.04
IUPAC Name2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one
SMILESO=C1c2ccccc2S(=O)c2cccc3cccc1c23
InChIInChI=1S/C17H10O2S/c18-17-12-7-1-2-9-14(12)20(19)15-10-4-6-11-5-3-8-13(17)16(11)15/h1-10H
InChIKeyALUZHULUDFCXEP-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one?
The IUPAC name of 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one (CID 13402446) is 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one.
What is the SMILES notation for 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one?
The canonical SMILES for 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one is O=C1c2ccccc2S(=O)c2cccc3cccc1c23.
What is the InChIKey of 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one?
The InChIKey is ALUZHULUDFCXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2S/c18-17-12-7-1-2-9-14(12)20(19)15-10-4-6-11-5-3-8-13(17)16(11)15/h1-10H.
What are the key properties of 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one?
2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one has a molecular weight of 278.33 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2lambda4-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-one is sourced from PubChem (CID 13402446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).