triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane

C14H30S — CID 155264270

IUPACtriethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane
SMILESCCC/C=C(\CCC)S(CC)(CC)CC
InChIInChI=1S/C14H30S/c1-6-11-13-14(12-7-2)15(8-3,9-4)10-5/h13H,6-12H2,1-5H3/b14-13+
InChIKeyLPMFSRSXSVVLRG-BUHFOSPRSA-N
MW230.46 g/mol
LogP5.33
Rot. Bonds8

About triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane

triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane (PubChem CID 155264270) has the molecular formula C14H30S and a molecular weight of 230.46 g/mol. Its IUPAC name is triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane.

Molecular Properties

Compound Nametriethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane
PubChem CID155264270
Molecular FormulaC14H30S
Molecular Weight230.46 g/mol
Exact Mass230.21
IUPAC Nametriethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane
SMILESCCC/C=C(\CCC)S(CC)(CC)CC
InChIInChI=1S/C14H30S/c1-6-11-13-14(12-7-2)15(8-3,9-4)10-5/h13H,6-12H2,1-5H3/b14-13+
InChIKeyLPMFSRSXSVVLRG-BUHFOSPRSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane?
The IUPAC name of triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane (CID 155264270) is triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane.
What is the SMILES notation for triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane?
The canonical SMILES for triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane is CCC/C=C(\CCC)S(CC)(CC)CC.
What is the InChIKey of triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane?
The InChIKey is LPMFSRSXSVVLRG-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H30S/c1-6-11-13-14(12-7-2)15(8-3,9-4)10-5/h13H,6-12H2,1-5H3/b14-13+.
What are the key properties of triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane?
triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane has a molecular weight of 230.46 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-oct-4-en-4-yl]-λ4-sulfane is sourced from PubChem (CID 155264270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).