1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene

C11H18S — CID 71343459

IUPAC1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(CSC)CC1
InChIInChI=1S/C11H18S/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,11H,1,5-8H2,2-3H3
InChIKeyVAPAEDOECNPTLS-UHFFFAOYSA-N
MW182.33 g/mol
LogP3.65
Rot. Bonds3

About 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene

1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene (PubChem CID 71343459) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene
PubChem CID71343459
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(CSC)CC1
InChIInChI=1S/C11H18S/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,11H,1,5-8H2,2-3H3
InChIKeyVAPAEDOECNPTLS-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.65
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 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene (CID 71343459) is 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(CSC)CC1.
What is the InChIKey of 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene?
The InChIKey is VAPAEDOECNPTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,11H,1,5-8H2,2-3H3.
What are the key properties of 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene?
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene has a molecular weight of 182.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 71343459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).