(E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene

C11H20OS — CID 154968497

IUPAC(E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene
SMILESC/C=C(\C)OCCS/C(C)=C/CC
InChIInChI=1S/C11H20OS/c1-5-7-11(4)13-9-8-12-10(3)6-2/h6-7H,5,8-9H2,1-4H3/b10-6+,11-7+
InChIKeyARSVMHYJTDAMFU-JMQWPVDRSA-N
MW200.35 g/mol
LogP3.97
Rot. Bonds6

About (E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene

(E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene (PubChem CID 154968497) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene.

Molecular Properties

Compound Name(E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene
PubChem CID154968497
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene
SMILESC/C=C(\C)OCCS/C(C)=C/CC
InChIInChI=1S/C11H20OS/c1-5-7-11(4)13-9-8-12-10(3)6-2/h6-7H,5,8-9H2,1-4H3/b10-6+,11-7+
InChIKeyARSVMHYJTDAMFU-JMQWPVDRSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.97
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)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene?
The IUPAC name of (E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene (CID 154968497) is (E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene.
What is the SMILES notation for (E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene?
The canonical SMILES for (E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene is C/C=C(\C)OCCS/C(C)=C/CC.
What is the InChIKey of (E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene?
The InChIKey is ARSVMHYJTDAMFU-JMQWPVDRSA-N. The full InChI is InChI=1S/C11H20OS/c1-5-7-11(4)13-9-8-12-10(3)6-2/h6-7H,5,8-9H2,1-4H3/b10-6+,11-7+.
What are the key properties of (E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene?
(E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene has a molecular weight of 200.35 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2-[(E)-but-2-en-2-yl]oxyethylsulfanyl]pent-2-ene is sourced from PubChem (CID 154968497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).