2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene

C12H22S — CID 71327748

IUPAC2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene
SMILESCCC=C(C)CSCC(C)=CCC
InChIInChI=1S/C12H22S/c1-5-7-11(3)9-13-10-12(4)8-6-2/h7-8H,5-6,9-10H2,1-4H3
InChIKeyHLZFXTCXQVVTRB-UHFFFAOYSA-N
MW198.37 g/mol
LogP4.43
Rot. Bonds6

About 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene

2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene (PubChem CID 71327748) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene.

Molecular Properties

Compound Name2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene
PubChem CID71327748
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene
SMILESCCC=C(C)CSCC(C)=CCC
InChIInChI=1S/C12H22S/c1-5-7-11(3)9-13-10-12(4)8-6-2/h7-8H,5-6,9-10H2,1-4H3
InChIKeyHLZFXTCXQVVTRB-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene?
The IUPAC name of 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene (CID 71327748) is 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene.
What is the SMILES notation for 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene?
The canonical SMILES for 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene is CCC=C(C)CSCC(C)=CCC.
What is the InChIKey of 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene?
The InChIKey is HLZFXTCXQVVTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-5-7-11(3)9-13-10-12(4)8-6-2/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene?
2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene has a molecular weight of 198.37 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpent-2-enylsulfanyl)pent-2-ene is sourced from PubChem (CID 71327748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).