1-oxa-7-thiacyclopentadecan-2-one

C13H24O2S — CID 18799199

IUPAC1-oxa-7-thiacyclopentadecan-2-one
SMILESO=C1CCCCSCCCCCCCCO1
InChIInChI=1S/C13H24O2S/c14-13-9-5-8-12-16-11-7-4-2-1-3-6-10-15-13/h1-12H2
InChIKeyWFVJXCJXQRGKAE-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.79
Rot. Bonds

About 1-oxa-7-thiacyclopentadecan-2-one

1-oxa-7-thiacyclopentadecan-2-one (PubChem CID 18799199) has the molecular formula C13H24O2S and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-oxa-7-thiacyclopentadecan-2-one.

Molecular Properties

Compound Name1-oxa-7-thiacyclopentadecan-2-one
PubChem CID18799199
Molecular FormulaC13H24O2S
Molecular Weight244.40 g/mol
Exact Mass244.15
IUPAC Name1-oxa-7-thiacyclopentadecan-2-one
SMILESO=C1CCCCSCCCCCCCCO1
InChIInChI=1S/C13H24O2S/c14-13-9-5-8-12-16-11-7-4-2-1-3-6-10-15-13/h1-12H2
InChIKeyWFVJXCJXQRGKAE-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-thiacyclopentadecan-2-one?
The IUPAC name of 1-oxa-7-thiacyclopentadecan-2-one (CID 18799199) is 1-oxa-7-thiacyclopentadecan-2-one.
What is the SMILES notation for 1-oxa-7-thiacyclopentadecan-2-one?
The canonical SMILES for 1-oxa-7-thiacyclopentadecan-2-one is O=C1CCCCSCCCCCCCCO1.
What is the InChIKey of 1-oxa-7-thiacyclopentadecan-2-one?
The InChIKey is WFVJXCJXQRGKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2S/c14-13-9-5-8-12-16-11-7-4-2-1-3-6-10-15-13/h1-12H2.
What are the key properties of 1-oxa-7-thiacyclopentadecan-2-one?
1-oxa-7-thiacyclopentadecan-2-one has a molecular weight of 244.40 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-thiacyclopentadecan-2-one is sourced from PubChem (CID 18799199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).