1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane

C11H20S — CID 158749489

IUPAC1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane
SMILESC=C1CCCC(CCSCC)C1
InChIInChI=1S/C11H20S/c1-3-12-8-7-11-6-4-5-10(2)9-11/h11H,2-9H2,1H3
InChIKeyINHIDBGEOLDKRH-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.88
Rot. Bonds4

About 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane

1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane (PubChem CID 158749489) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane
PubChem CID158749489
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane
SMILESC=C1CCCC(CCSCC)C1
InChIInChI=1S/C11H20S/c1-3-12-8-7-11-6-4-5-10(2)9-11/h11H,2-9H2,1H3
InChIKeyINHIDBGEOLDKRH-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.88
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 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane?
The IUPAC name of 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane (CID 158749489) is 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane is C=C1CCCC(CCSCC)C1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane?
The InChIKey is INHIDBGEOLDKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-3-12-8-7-11-6-4-5-10(2)9-11/h11H,2-9H2,1H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane?
1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane has a molecular weight of 184.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-3-methylidenecyclohexane is sourced from PubChem (CID 158749489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).