but-3-en-2-ylsulfanylcyclopentane

C9H16S — CID 59882078

IUPACbut-3-en-2-ylsulfanylcyclopentane
SMILESC=CC(C)SC1CCCC1
InChIInChI=1S/C9H16S/c1-3-8(2)10-9-6-4-5-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyUZLXXWSKLLRYRQ-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.24
Rot. Bonds3

About but-3-en-2-ylsulfanylcyclopentane

but-3-en-2-ylsulfanylcyclopentane (PubChem CID 59882078) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is but-3-en-2-ylsulfanylcyclopentane.

Molecular Properties

Compound Namebut-3-en-2-ylsulfanylcyclopentane
PubChem CID59882078
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Namebut-3-en-2-ylsulfanylcyclopentane
SMILESC=CC(C)SC1CCCC1
InChIInChI=1S/C9H16S/c1-3-8(2)10-9-6-4-5-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyUZLXXWSKLLRYRQ-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-ylsulfanylcyclopentane?
The IUPAC name of but-3-en-2-ylsulfanylcyclopentane (CID 59882078) is but-3-en-2-ylsulfanylcyclopentane.
What is the SMILES notation for but-3-en-2-ylsulfanylcyclopentane?
The canonical SMILES for but-3-en-2-ylsulfanylcyclopentane is C=CC(C)SC1CCCC1.
What is the InChIKey of but-3-en-2-ylsulfanylcyclopentane?
The InChIKey is UZLXXWSKLLRYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-3-8(2)10-9-6-4-5-7-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of but-3-en-2-ylsulfanylcyclopentane?
but-3-en-2-ylsulfanylcyclopentane has a molecular weight of 156.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-ylsulfanylcyclopentane is sourced from PubChem (CID 59882078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).