1-ethylsulfanyl-3-methylidenecyclohexane

C9H16S — CID 86130259

IUPAC1-ethylsulfanyl-3-methylidenecyclohexane
SMILESC=C1CCCC(SCC)C1
InChIInChI=1S/C9H16S/c1-3-10-9-6-4-5-8(2)7-9/h9H,2-7H2,1H3
InChIKeyZYMINCPBQHSABT-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.24
Rot. Bonds2

About 1-ethylsulfanyl-3-methylidenecyclohexane

1-ethylsulfanyl-3-methylidenecyclohexane (PubChem CID 86130259) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethylsulfanyl-3-methylidenecyclohexane
PubChem CID86130259
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name1-ethylsulfanyl-3-methylidenecyclohexane
SMILESC=C1CCCC(SCC)C1
InChIInChI=1S/C9H16S/c1-3-10-9-6-4-5-8(2)7-9/h9H,2-7H2,1H3
InChIKeyZYMINCPBQHSABT-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-methylidenecyclohexane?
The IUPAC name of 1-ethylsulfanyl-3-methylidenecyclohexane (CID 86130259) is 1-ethylsulfanyl-3-methylidenecyclohexane.
What is the SMILES notation for 1-ethylsulfanyl-3-methylidenecyclohexane?
The canonical SMILES for 1-ethylsulfanyl-3-methylidenecyclohexane is C=C1CCCC(SCC)C1.
What is the InChIKey of 1-ethylsulfanyl-3-methylidenecyclohexane?
The InChIKey is ZYMINCPBQHSABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-3-10-9-6-4-5-8(2)7-9/h9H,2-7H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-methylidenecyclohexane?
1-ethylsulfanyl-3-methylidenecyclohexane has a molecular weight of 156.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-methylidenecyclohexane is sourced from PubChem (CID 86130259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).