[(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane

C12H24S — CID 58200077

IUPAC[(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane
SMILESC=S(/C=C\C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C12H24S/c1-11(2,3)8-9-13(7)10-12(4,5)6/h8-9H,7,10H2,1-6H3/b9-8-
InChIKeyZQIDVPBERDZXQD-HJWRWDBZSA-N
MW200.39 g/mol
LogP4.29
Rot. Bonds2

About [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane

[(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane (PubChem CID 58200077) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane.

Molecular Properties

Compound Name[(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane
PubChem CID58200077
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name[(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane
SMILESC=S(/C=C\C(C)(C)C)CC(C)(C)C
InChIInChI=1S/C12H24S/c1-11(2,3)8-9-13(7)10-12(4,5)6/h8-9H,7,10H2,1-6H3/b9-8-
InChIKeyZQIDVPBERDZXQD-HJWRWDBZSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane?
The IUPAC name of [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane (CID 58200077) is [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane.
What is the SMILES notation for [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane?
The canonical SMILES for [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane is C=S(/C=C\C(C)(C)C)CC(C)(C)C.
What is the InChIKey of [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane?
The InChIKey is ZQIDVPBERDZXQD-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H24S/c1-11(2,3)8-9-13(7)10-12(4,5)6/h8-9H,7,10H2,1-6H3/b9-8-.
What are the key properties of [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane?
[(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane has a molecular weight of 200.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3,3-dimethylbut-1-enyl]-(2,2-dimethylpropyl)-methylidene-λ4-sulfane is sourced from PubChem (CID 58200077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).