2-cyclohexyl-1,3-oxathiane

C10H18OS — CID 19349491

IUPAC2-cyclohexyl-1,3-oxathiane
SMILESC1CCC(C2OCCCS2)CC1
InChIInChI=1S/C10H18OS/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h9-10H,1-8H2
InChIKeyXZRWTHDOXZDUNO-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.05
Rot. Bonds1

About 2-cyclohexyl-1,3-oxathiane

2-cyclohexyl-1,3-oxathiane (PubChem CID 19349491) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-oxathiane.

Molecular Properties

Compound Name2-cyclohexyl-1,3-oxathiane
PubChem CID19349491
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-cyclohexyl-1,3-oxathiane
SMILESC1CCC(C2OCCCS2)CC1
InChIInChI=1S/C10H18OS/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h9-10H,1-8H2
InChIKeyXZRWTHDOXZDUNO-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-oxathiane?
The IUPAC name of 2-cyclohexyl-1,3-oxathiane (CID 19349491) is 2-cyclohexyl-1,3-oxathiane.
What is the SMILES notation for 2-cyclohexyl-1,3-oxathiane?
The canonical SMILES for 2-cyclohexyl-1,3-oxathiane is C1CCC(C2OCCCS2)CC1.
What is the InChIKey of 2-cyclohexyl-1,3-oxathiane?
The InChIKey is XZRWTHDOXZDUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h9-10H,1-8H2.
What are the key properties of 2-cyclohexyl-1,3-oxathiane?
2-cyclohexyl-1,3-oxathiane has a molecular weight of 186.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-oxathiane is sourced from PubChem (CID 19349491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).