2-methyl-1-methylsulfanylpent-2-ene

C7H14S — CID 59878760

IUPAC2-methyl-1-methylsulfanylpent-2-ene
SMILESCCC=C(C)CSC
InChIInChI=1S/C7H14S/c1-4-5-7(2)6-8-3/h5H,4,6H2,1-3H3
InChIKeyVVSRRTCMNBCCTG-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.71
Rot. Bonds3

About 2-methyl-1-methylsulfanylpent-2-ene

2-methyl-1-methylsulfanylpent-2-ene (PubChem CID 59878760) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanylpent-2-ene.

Molecular Properties

Compound Name2-methyl-1-methylsulfanylpent-2-ene
PubChem CID59878760
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2-methyl-1-methylsulfanylpent-2-ene
SMILESCCC=C(C)CSC
InChIInChI=1S/C7H14S/c1-4-5-7(2)6-8-3/h5H,4,6H2,1-3H3
InChIKeyVVSRRTCMNBCCTG-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.71
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-methylsulfanylpent-2-ene?
The IUPAC name of 2-methyl-1-methylsulfanylpent-2-ene (CID 59878760) is 2-methyl-1-methylsulfanylpent-2-ene.
What is the SMILES notation for 2-methyl-1-methylsulfanylpent-2-ene?
The canonical SMILES for 2-methyl-1-methylsulfanylpent-2-ene is CCC=C(C)CSC.
What is the InChIKey of 2-methyl-1-methylsulfanylpent-2-ene?
The InChIKey is VVSRRTCMNBCCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-4-5-7(2)6-8-3/h5H,4,6H2,1-3H3.
What are the key properties of 2-methyl-1-methylsulfanylpent-2-ene?
2-methyl-1-methylsulfanylpent-2-ene has a molecular weight of 130.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanylpent-2-ene is sourced from PubChem (CID 59878760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).