1-oxa-8-thiacyclohexadecan-2-one

C14H26O2S — CID 10634975

IUPAC1-oxa-8-thiacyclohexadecan-2-one
SMILESO=C1CCCCCSCCCCCCCCO1
InChIInChI=1S/C14H26O2S/c15-14-10-6-5-9-13-17-12-8-4-2-1-3-7-11-16-14/h1-13H2
InChIKeyHWFBMWZUMSYSLM-UHFFFAOYSA-N
MW258.43 g/mol
LogP4.18
Rot. Bonds

About 1-oxa-8-thiacyclohexadecan-2-one

1-oxa-8-thiacyclohexadecan-2-one (PubChem CID 10634975) has the molecular formula C14H26O2S and a molecular weight of 258.43 g/mol. Its IUPAC name is 1-oxa-8-thiacyclohexadecan-2-one.

Molecular Properties

Compound Name1-oxa-8-thiacyclohexadecan-2-one
PubChem CID10634975
Molecular FormulaC14H26O2S
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name1-oxa-8-thiacyclohexadecan-2-one
SMILESO=C1CCCCCSCCCCCCCCO1
InChIInChI=1S/C14H26O2S/c15-14-10-6-5-9-13-17-12-8-4-2-1-3-7-11-16-14/h1-13H2
InChIKeyHWFBMWZUMSYSLM-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-thiacyclohexadecan-2-one?
The IUPAC name of 1-oxa-8-thiacyclohexadecan-2-one (CID 10634975) is 1-oxa-8-thiacyclohexadecan-2-one.
What is the SMILES notation for 1-oxa-8-thiacyclohexadecan-2-one?
The canonical SMILES for 1-oxa-8-thiacyclohexadecan-2-one is O=C1CCCCCSCCCCCCCCO1.
What is the InChIKey of 1-oxa-8-thiacyclohexadecan-2-one?
The InChIKey is HWFBMWZUMSYSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2S/c15-14-10-6-5-9-13-17-12-8-4-2-1-3-7-11-16-14/h1-13H2.
What are the key properties of 1-oxa-8-thiacyclohexadecan-2-one?
1-oxa-8-thiacyclohexadecan-2-one has a molecular weight of 258.43 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-thiacyclohexadecan-2-one is sourced from PubChem (CID 10634975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).