but-3-en-2-ylsulfanylcyclohexane

C10H18S — CID 59882135

IUPACbut-3-en-2-ylsulfanylcyclohexane
SMILESC=CC(C)SC1CCCCC1
InChIInChI=1S/C10H18S/c1-3-9(2)11-10-7-5-4-6-8-10/h3,9-10H,1,4-8H2,2H3
InChIKeyDJYIZVSAUPVMLU-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.63
Rot. Bonds3

About but-3-en-2-ylsulfanylcyclohexane

but-3-en-2-ylsulfanylcyclohexane (PubChem CID 59882135) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is but-3-en-2-ylsulfanylcyclohexane.

Molecular Properties

Compound Namebut-3-en-2-ylsulfanylcyclohexane
PubChem CID59882135
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Namebut-3-en-2-ylsulfanylcyclohexane
SMILESC=CC(C)SC1CCCCC1
InChIInChI=1S/C10H18S/c1-3-9(2)11-10-7-5-4-6-8-10/h3,9-10H,1,4-8H2,2H3
InChIKeyDJYIZVSAUPVMLU-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-ylsulfanylcyclohexane?
The IUPAC name of but-3-en-2-ylsulfanylcyclohexane (CID 59882135) is but-3-en-2-ylsulfanylcyclohexane.
What is the SMILES notation for but-3-en-2-ylsulfanylcyclohexane?
The canonical SMILES for but-3-en-2-ylsulfanylcyclohexane is C=CC(C)SC1CCCCC1.
What is the InChIKey of but-3-en-2-ylsulfanylcyclohexane?
The InChIKey is DJYIZVSAUPVMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-3-9(2)11-10-7-5-4-6-8-10/h3,9-10H,1,4-8H2,2H3.
What are the key properties of but-3-en-2-ylsulfanylcyclohexane?
but-3-en-2-ylsulfanylcyclohexane has a molecular weight of 170.32 g/mol, XLogP of 3.63, 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-ylsulfanylcyclohexane is sourced from PubChem (CID 59882135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).