2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene

C8H14OS — CID 123647356

IUPAC2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene
SMILESC=C(C)SC(C)C(=C)OC
InChIInChI=1S/C8H14OS/c1-6(2)10-8(4)7(3)9-5/h8H,1,3H2,2,4-5H3
InChIKeyKQWSAQRZTSEGSR-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.80
Rot. Bonds4

About 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene

2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene (PubChem CID 123647356) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene.

Molecular Properties

Compound Name2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene
PubChem CID123647356
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene
SMILESC=C(C)SC(C)C(=C)OC
InChIInChI=1S/C8H14OS/c1-6(2)10-8(4)7(3)9-5/h8H,1,3H2,2,4-5H3
InChIKeyKQWSAQRZTSEGSR-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene?
The IUPAC name of 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene (CID 123647356) is 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene.
What is the SMILES notation for 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene?
The canonical SMILES for 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene is C=C(C)SC(C)C(=C)OC.
What is the InChIKey of 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene?
The InChIKey is KQWSAQRZTSEGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-6(2)10-8(4)7(3)9-5/h8H,1,3H2,2,4-5H3.
What are the key properties of 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene?
2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene has a molecular weight of 158.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-prop-1-en-2-ylsulfanylbut-1-ene is sourced from PubChem (CID 123647356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).