2-ethyl-4-methylidene-1-methylsulfanylcyclohexane

C10H18S — CID 90701630

IUPAC2-ethyl-4-methylidene-1-methylsulfanylcyclohexane
SMILESC=C1CCC(SC)C(CC)C1
InChIInChI=1S/C10H18S/c1-4-9-7-8(2)5-6-10(9)11-3/h9-10H,2,4-7H2,1,3H3
InChIKeyYLZSAWFCTSZANF-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.48
Rot. Bonds2

About 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane

2-ethyl-4-methylidene-1-methylsulfanylcyclohexane (PubChem CID 90701630) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane.

Molecular Properties

Compound Name2-ethyl-4-methylidene-1-methylsulfanylcyclohexane
PubChem CID90701630
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2-ethyl-4-methylidene-1-methylsulfanylcyclohexane
SMILESC=C1CCC(SC)C(CC)C1
InChIInChI=1S/C10H18S/c1-4-9-7-8(2)5-6-10(9)11-3/h9-10H,2,4-7H2,1,3H3
InChIKeyYLZSAWFCTSZANF-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.48
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

1-Pentylsulfanylethenylcyclohexane
CID 58150596
1-Methylsulfanylethenylcyclohexane
CID 85970191
4-Methylidene-1-methylsulfanyl-2-(trifluoromethyl)cyclohexane
CID 90922567
1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
1-Methylsulfinylmethyl-2-methylenecyclohexane
CID 15525559
2-Methylsulfanylprop-2-enylcyclohexane
CID 85970198
1-Cyclohexyl-3-methyl-3-butene-1-thiol
CID 24973560
1-Methyl-4-(3-methylbut-3-enyl)thian-1-ium
CID 20664953
3-Butyl-5-methylidenethiepane
CID 53820002
2-Pentylsulfanylprop-2-enylcyclohexane
CID 58150584
[(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] ethanedithioate
CID 59062060
3-cyclohexyl-4-ethyl-3H-dithiole
CID 87122512

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane?
The IUPAC name of 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane (CID 90701630) is 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane.
What is the SMILES notation for 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane?
The canonical SMILES for 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane is C=C1CCC(SC)C(CC)C1.
What is the InChIKey of 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane?
The InChIKey is YLZSAWFCTSZANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-4-9-7-8(2)5-6-10(9)11-3/h9-10H,2,4-7H2,1,3H3.
What are the key properties of 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane?
2-ethyl-4-methylidene-1-methylsulfanylcyclohexane has a molecular weight of 170.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylidene-1-methylsulfanylcyclohexane is sourced from PubChem (CID 90701630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).