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

C10H18S — CID 11095069

IUPAC3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene
SMILESCC(C)=CCSCC=C(C)C
InChIInChI=1S/C10H18S/c1-9(2)5-7-11-8-6-10(3)4/h5-6H,7-8H2,1-4H3
InChIKeyGPAXHCWZVQHLFJ-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.65
Rot. Bonds4

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

3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene (PubChem CID 11095069) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene.

Molecular Properties

Compound Name3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene
PubChem CID11095069
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene
SMILESCC(C)=CCSCC=C(C)C
InChIInChI=1S/C10H18S/c1-9(2)5-7-11-8-6-10(3)4/h5-6H,7-8H2,1-4H3
InChIKeyGPAXHCWZVQHLFJ-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-enylsulfanyl)but-2-ene?
The IUPAC name of 3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene (CID 11095069) is 3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene.
What is the SMILES notation for 3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene?
The canonical SMILES for 3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene is CC(C)=CCSCC=C(C)C.
What is the InChIKey of 3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene?
The InChIKey is GPAXHCWZVQHLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-9(2)5-7-11-8-6-10(3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene?
3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene has a molecular weight of 170.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbut-2-enylsulfanyl)but-2-ene is sourced from PubChem (CID 11095069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).