but-3-enylsulfanylcyclohexane

C10H18S — CID 23466670

IUPACbut-3-enylsulfanylcyclohexane
SMILESC=CCCSC1CCCCC1
InChIInChI=1S/C10H18S/c1-2-3-9-11-10-7-5-4-6-8-10/h2,10H,1,3-9H2
InChIKeyZVSSKDVBHFDTLE-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.63
Rot. Bonds4

About but-3-enylsulfanylcyclohexane

but-3-enylsulfanylcyclohexane (PubChem CID 23466670) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is but-3-enylsulfanylcyclohexane.

Molecular Properties

Compound Namebut-3-enylsulfanylcyclohexane
PubChem CID23466670
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Namebut-3-enylsulfanylcyclohexane
SMILESC=CCCSC1CCCCC1
InChIInChI=1S/C10H18S/c1-2-3-9-11-10-7-5-4-6-8-10/h2,10H,1,3-9H2
InChIKeyZVSSKDVBHFDTLE-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enylsulfanylcyclohexane?
The IUPAC name of but-3-enylsulfanylcyclohexane (CID 23466670) is but-3-enylsulfanylcyclohexane.
What is the SMILES notation for but-3-enylsulfanylcyclohexane?
The canonical SMILES for but-3-enylsulfanylcyclohexane is C=CCCSC1CCCCC1.
What is the InChIKey of but-3-enylsulfanylcyclohexane?
The InChIKey is ZVSSKDVBHFDTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-2-3-9-11-10-7-5-4-6-8-10/h2,10H,1,3-9H2.
What are the key properties of but-3-enylsulfanylcyclohexane?
but-3-enylsulfanylcyclohexane has a molecular weight of 170.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylsulfanylcyclohexane is sourced from PubChem (CID 23466670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).