triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane

C14H30OS — CID 139562218

IUPACtriethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane
SMILESCCS(CC)(CC)CCC1CCOC(C)C1
InChIInChI=1S/C14H30OS/c1-5-16(6-2,7-3)11-9-14-8-10-15-13(4)12-14/h13-14H,5-12H2,1-4H3
InChIKeyCCKQZVFWNUGSCR-UHFFFAOYSA-N
MW246.46 g/mol
LogP4.06
Rot. Bonds6

About triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane

triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane (PubChem CID 139562218) has the molecular formula C14H30OS and a molecular weight of 246.46 g/mol. Its IUPAC name is triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane.

Molecular Properties

Compound Nametriethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane
PubChem CID139562218
Molecular FormulaC14H30OS
Molecular Weight246.46 g/mol
Exact Mass246.20
IUPAC Nametriethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane
SMILESCCS(CC)(CC)CCC1CCOC(C)C1
InChIInChI=1S/C14H30OS/c1-5-16(6-2,7-3)11-9-14-8-10-15-13(4)12-14/h13-14H,5-12H2,1-4H3
InChIKeyCCKQZVFWNUGSCR-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane?
The IUPAC name of triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane (CID 139562218) is triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane.
What is the SMILES notation for triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane?
The canonical SMILES for triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane is CCS(CC)(CC)CCC1CCOC(C)C1.
What is the InChIKey of triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane?
The InChIKey is CCKQZVFWNUGSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OS/c1-5-16(6-2,7-3)11-9-14-8-10-15-13(4)12-14/h13-14H,5-12H2,1-4H3.
What are the key properties of triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane?
triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane has a molecular weight of 246.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(2-methyloxan-4-yl)ethyl]-λ4-sulfane is sourced from PubChem (CID 139562218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).