4-ethyl-4-(ethylsulfanylmethyl)oxane

C10H20OS — CID 156522247

IUPAC4-ethyl-4-(ethylsulfanylmethyl)oxane
SMILESCCSCC1(CC)CCOCC1
InChIInChI=1S/C10H20OS/c1-3-10(9-12-4-2)5-7-11-8-6-10/h3-9H2,1-2H3
InChIKeyFYKXLXDWNAMIMV-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.95
Rot. Bonds4

About 4-ethyl-4-(ethylsulfanylmethyl)oxane

4-ethyl-4-(ethylsulfanylmethyl)oxane (PubChem CID 156522247) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-ethyl-4-(ethylsulfanylmethyl)oxane.

Molecular Properties

Compound Name4-ethyl-4-(ethylsulfanylmethyl)oxane
PubChem CID156522247
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name4-ethyl-4-(ethylsulfanylmethyl)oxane
SMILESCCSCC1(CC)CCOCC1
InChIInChI=1S/C10H20OS/c1-3-10(9-12-4-2)5-7-11-8-6-10/h3-9H2,1-2H3
InChIKeyFYKXLXDWNAMIMV-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(ethylsulfanylmethyl)oxane?
The IUPAC name of 4-ethyl-4-(ethylsulfanylmethyl)oxane (CID 156522247) is 4-ethyl-4-(ethylsulfanylmethyl)oxane.
What is the SMILES notation for 4-ethyl-4-(ethylsulfanylmethyl)oxane?
The canonical SMILES for 4-ethyl-4-(ethylsulfanylmethyl)oxane is CCSCC1(CC)CCOCC1.
What is the InChIKey of 4-ethyl-4-(ethylsulfanylmethyl)oxane?
The InChIKey is FYKXLXDWNAMIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-3-10(9-12-4-2)5-7-11-8-6-10/h3-9H2,1-2H3.
What are the key properties of 4-ethyl-4-(ethylsulfanylmethyl)oxane?
4-ethyl-4-(ethylsulfanylmethyl)oxane has a molecular weight of 188.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(ethylsulfanylmethyl)oxane is sourced from PubChem (CID 156522247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).