(E)-3-(2-ethylsulfanylethoxy)hex-2-ene

C10H20OS — CID 142831076

IUPAC(E)-3-(2-ethylsulfanylethoxy)hex-2-ene
SMILESC/C=C(\CCC)OCCSCC
InChIInChI=1S/C10H20OS/c1-4-7-10(5-2)11-8-9-12-6-3/h5H,4,6-9H2,1-3H3/b10-5+
InChIKeyGVCFNHDITIOQCW-BJMVGYQFSA-N
MW188.34 g/mol
LogP3.46
Rot. Bonds7

About (E)-3-(2-ethylsulfanylethoxy)hex-2-ene

(E)-3-(2-ethylsulfanylethoxy)hex-2-ene (PubChem CID 142831076) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (E)-3-(2-ethylsulfanylethoxy)hex-2-ene.

Molecular Properties

Compound Name(E)-3-(2-ethylsulfanylethoxy)hex-2-ene
PubChem CID142831076
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(E)-3-(2-ethylsulfanylethoxy)hex-2-ene
SMILESC/C=C(\CCC)OCCSCC
InChIInChI=1S/C10H20OS/c1-4-7-10(5-2)11-8-9-12-6-3/h5H,4,6-9H2,1-3H3/b10-5+
InChIKeyGVCFNHDITIOQCW-BJMVGYQFSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethylsulfanylethoxy)hex-2-ene?
The IUPAC name of (E)-3-(2-ethylsulfanylethoxy)hex-2-ene (CID 142831076) is (E)-3-(2-ethylsulfanylethoxy)hex-2-ene.
What is the SMILES notation for (E)-3-(2-ethylsulfanylethoxy)hex-2-ene?
The canonical SMILES for (E)-3-(2-ethylsulfanylethoxy)hex-2-ene is C/C=C(\CCC)OCCSCC.
What is the InChIKey of (E)-3-(2-ethylsulfanylethoxy)hex-2-ene?
The InChIKey is GVCFNHDITIOQCW-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H20OS/c1-4-7-10(5-2)11-8-9-12-6-3/h5H,4,6-9H2,1-3H3/b10-5+.
What are the key properties of (E)-3-(2-ethylsulfanylethoxy)hex-2-ene?
(E)-3-(2-ethylsulfanylethoxy)hex-2-ene has a molecular weight of 188.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethylsulfanylethoxy)hex-2-ene is sourced from PubChem (CID 142831076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).