tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane

C12H24S — CID 58200092

IUPACtert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane
SMILESC=S(/C=C\CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24S/c1-11(2,3)9-8-10-13(7)12(4,5)6/h8,10H,7,9H2,1-6H3/b10-8-
InChIKeyYSMCGUUKOQYWBQ-NTMALXAHSA-N
MW200.39 g/mol
LogP4.44
Rot. Bonds2

About tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane

tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane (PubChem CID 58200092) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane.

Molecular Properties

Compound Nametert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane
PubChem CID58200092
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Nametert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane
SMILESC=S(/C=C\CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H24S/c1-11(2,3)9-8-10-13(7)12(4,5)6/h8,10H,7,9H2,1-6H3/b10-8-
InChIKeyYSMCGUUKOQYWBQ-NTMALXAHSA-N
XLogP4.44
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 ≤ 54.44
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 tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane?
The IUPAC name of tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane (CID 58200092) is tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane.
What is the SMILES notation for tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane?
The canonical SMILES for tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane is C=S(/C=C\CC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane?
The InChIKey is YSMCGUUKOQYWBQ-NTMALXAHSA-N. The full InChI is InChI=1S/C12H24S/c1-11(2,3)9-8-10-13(7)12(4,5)6/h8,10H,7,9H2,1-6H3/b10-8-.
What are the key properties of tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane?
tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane has a molecular weight of 200.39 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-4,4-dimethylpent-1-enyl]-methylidene-λ4-sulfane is sourced from PubChem (CID 58200092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).