3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene

C10H18S2 — CID 12030785

IUPAC3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene
SMILESCC(C)=CCSSCC=C(C)C
InChIInChI=1S/C10H18S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-6H,7-8H2,1-4H3
InChIKeyGJSZWEINRPTYBA-UHFFFAOYSA-N
MW202.39 g/mol
LogP4.30
Rot. Bonds5

About 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene

3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene (PubChem CID 12030785) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene.

Molecular Properties

Compound Name3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene
PubChem CID12030785
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene
SMILESCC(C)=CCSSCC=C(C)C
InChIInChI=1S/C10H18S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-6H,7-8H2,1-4H3
InChIKeyGJSZWEINRPTYBA-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene?
The IUPAC name of 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene (CID 12030785) is 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene.
What is the SMILES notation for 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene?
The canonical SMILES for 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene is CC(C)=CCSSCC=C(C)C.
What is the InChIKey of 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene?
The InChIKey is GJSZWEINRPTYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2/c1-9(2)5-7-11-12-8-6-10(3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene?
3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene has a molecular weight of 202.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbut-2-enyldisulfanyl)but-2-ene is sourced from PubChem (CID 12030785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).