but-3-ynylsulfanylcyclopentane

C9H14S — CID 63655650

IUPACbut-3-ynylsulfanylcyclopentane
SMILESC#CCCSC1CCCC1
InChIInChI=1S/C9H14S/c1-2-3-8-10-9-6-4-5-7-9/h1,9H,3-8H2
InChIKeyUXHMJOMWJNQFEI-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.69
Rot. Bonds3

About but-3-ynylsulfanylcyclopentane

but-3-ynylsulfanylcyclopentane (PubChem CID 63655650) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is but-3-ynylsulfanylcyclopentane.

Molecular Properties

Compound Namebut-3-ynylsulfanylcyclopentane
PubChem CID63655650
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Namebut-3-ynylsulfanylcyclopentane
SMILESC#CCCSC1CCCC1
InChIInChI=1S/C9H14S/c1-2-3-8-10-9-6-4-5-7-9/h1,9H,3-8H2
InChIKeyUXHMJOMWJNQFEI-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-ynylsulfanylcyclopentane?
The IUPAC name of but-3-ynylsulfanylcyclopentane (CID 63655650) is but-3-ynylsulfanylcyclopentane.
What is the SMILES notation for but-3-ynylsulfanylcyclopentane?
The canonical SMILES for but-3-ynylsulfanylcyclopentane is C#CCCSC1CCCC1.
What is the InChIKey of but-3-ynylsulfanylcyclopentane?
The InChIKey is UXHMJOMWJNQFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-2-3-8-10-9-6-4-5-7-9/h1,9H,3-8H2.
What are the key properties of but-3-ynylsulfanylcyclopentane?
but-3-ynylsulfanylcyclopentane has a molecular weight of 154.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynylsulfanylcyclopentane is sourced from PubChem (CID 63655650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).