[(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane

C15H30S — CID 123239288

IUPAC[(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane
SMILESCCS(/C=C\CCC(C)(C)C)=C(C)C(C)C
InChIInChI=1S/C15H30S/c1-8-16(14(4)13(2)3)12-10-9-11-15(5,6)7/h10,12-13H,8-9,11H2,1-7H3/b12-10-
InChIKeyUZNHIXQHYOBZKJ-BENRWUELSA-N
MW242.47 g/mol
LogP5.46
Rot. Bonds5

About [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane

[(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane (PubChem CID 123239288) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane.

Molecular Properties

Compound Name[(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane
PubChem CID123239288
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name[(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane
SMILESCCS(/C=C\CCC(C)(C)C)=C(C)C(C)C
InChIInChI=1S/C15H30S/c1-8-16(14(4)13(2)3)12-10-9-11-15(5,6)7/h10,12-13H,8-9,11H2,1-7H3/b12-10-
InChIKeyUZNHIXQHYOBZKJ-BENRWUELSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane?
The IUPAC name of [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane (CID 123239288) is [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane.
What is the SMILES notation for [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane?
The canonical SMILES for [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane is CCS(/C=C\CCC(C)(C)C)=C(C)C(C)C.
What is the InChIKey of [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane?
The InChIKey is UZNHIXQHYOBZKJ-BENRWUELSA-N. The full InChI is InChI=1S/C15H30S/c1-8-16(14(4)13(2)3)12-10-9-11-15(5,6)7/h10,12-13H,8-9,11H2,1-7H3/b12-10-.
What are the key properties of [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane?
[(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane has a molecular weight of 242.47 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5,5-dimethylhex-1-enyl]-ethyl-(3-methylbutan-2-ylidene)-λ4-sulfane is sourced from PubChem (CID 123239288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).