prop-2-enylsulfanylcyclohexane

C9H16S — CID 11126514

IUPACprop-2-enylsulfanylcyclohexane
SMILESC=CCSC1CCCCC1
InChIInChI=1S/C9H16S/c1-2-8-10-9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyPPNNVWQGVFZHNA-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.24
Rot. Bonds3

About prop-2-enylsulfanylcyclohexane

prop-2-enylsulfanylcyclohexane (PubChem CID 11126514) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is prop-2-enylsulfanylcyclohexane.

Molecular Properties

Compound Nameprop-2-enylsulfanylcyclohexane
PubChem CID11126514
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Nameprop-2-enylsulfanylcyclohexane
SMILESC=CCSC1CCCCC1
InChIInChI=1S/C9H16S/c1-2-8-10-9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyPPNNVWQGVFZHNA-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of prop-2-enylsulfanylcyclohexane?
The IUPAC name of prop-2-enylsulfanylcyclohexane (CID 11126514) is prop-2-enylsulfanylcyclohexane.
What is the SMILES notation for prop-2-enylsulfanylcyclohexane?
The canonical SMILES for prop-2-enylsulfanylcyclohexane is C=CCSC1CCCCC1.
What is the InChIKey of prop-2-enylsulfanylcyclohexane?
The InChIKey is PPNNVWQGVFZHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-2-8-10-9-6-4-3-5-7-9/h2,9H,1,3-8H2.
What are the key properties of prop-2-enylsulfanylcyclohexane?
prop-2-enylsulfanylcyclohexane 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 prop-2-enylsulfanylcyclohexane is sourced from PubChem (CID 11126514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).