2-methyl-1-methylsulfanylpent-4-en-2-ol

C7H14OS — CID 13218065

IUPAC2-methyl-1-methylsulfanylpent-4-en-2-ol
SMILESC=CCC(C)(O)CSC
InChIInChI=1S/C7H14OS/c1-4-5-7(2,8)6-9-3/h4,8H,1,5-6H2,2-3H3
InChIKeyHECXYCFCJJDAKA-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.68
Rot. Bonds4

About 2-methyl-1-methylsulfanylpent-4-en-2-ol

2-methyl-1-methylsulfanylpent-4-en-2-ol (PubChem CID 13218065) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanylpent-4-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanylpent-4-en-2-ol
PubChem CID13218065
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-methyl-1-methylsulfanylpent-4-en-2-ol
SMILESC=CCC(C)(O)CSC
InChIInChI=1S/C7H14OS/c1-4-5-7(2,8)6-9-3/h4,8H,1,5-6H2,2-3H3
InChIKeyHECXYCFCJJDAKA-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-4-en-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanylpent-4-en-2-ol (CID 13218065) is 2-methyl-1-methylsulfanylpent-4-en-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanylpent-4-en-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanylpent-4-en-2-ol is C=CCC(C)(O)CSC.
What is the InChIKey of 2-methyl-1-methylsulfanylpent-4-en-2-ol?
The InChIKey is HECXYCFCJJDAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-4-5-7(2,8)6-9-3/h4,8H,1,5-6H2,2-3H3.
What are the key properties of 2-methyl-1-methylsulfanylpent-4-en-2-ol?
2-methyl-1-methylsulfanylpent-4-en-2-ol has a molecular weight of 146.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanylpent-4-en-2-ol is sourced from PubChem (CID 13218065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).