5,5-dipropyl-1,3-oxathiane

C10H20OS — CID 89275820

IUPAC5,5-dipropyl-1,3-oxathiane
SMILESCCCC1(CCC)COCSC1
InChIInChI=1S/C10H20OS/c1-3-5-10(6-4-2)7-11-9-12-8-10/h3-9H2,1-2H3
InChIKeyKAPJMCAAHWAWCM-UHFFFAOYSA-N
MW188.34 g/mol
LogP3.29
Rot. Bonds4

About 5,5-dipropyl-1,3-oxathiane

5,5-dipropyl-1,3-oxathiane (PubChem CID 89275820) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 5,5-dipropyl-1,3-oxathiane.

Molecular Properties

Compound Name5,5-dipropyl-1,3-oxathiane
PubChem CID89275820
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name5,5-dipropyl-1,3-oxathiane
SMILESCCCC1(CCC)COCSC1
InChIInChI=1S/C10H20OS/c1-3-5-10(6-4-2)7-11-9-12-8-10/h3-9H2,1-2H3
InChIKeyKAPJMCAAHWAWCM-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dipropyl-1,3-oxathiane?
The IUPAC name of 5,5-dipropyl-1,3-oxathiane (CID 89275820) is 5,5-dipropyl-1,3-oxathiane.
What is the SMILES notation for 5,5-dipropyl-1,3-oxathiane?
The canonical SMILES for 5,5-dipropyl-1,3-oxathiane is CCCC1(CCC)COCSC1.
What is the InChIKey of 5,5-dipropyl-1,3-oxathiane?
The InChIKey is KAPJMCAAHWAWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-3-5-10(6-4-2)7-11-9-12-8-10/h3-9H2,1-2H3.
What are the key properties of 5,5-dipropyl-1,3-oxathiane?
5,5-dipropyl-1,3-oxathiane has a molecular weight of 188.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipropyl-1,3-oxathiane is sourced from PubChem (CID 89275820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).