2-methyl-5-methylsulfanylpent-1-en-3-ol

C7H14OS — CID 79177931

IUPAC2-methyl-5-methylsulfanylpent-1-en-3-ol
SMILESC=C(C)C(O)CCSC
InChIInChI=1S/C7H14OS/c1-6(2)7(8)4-5-9-3/h7-8H,1,4-5H2,2-3H3
InChIKeyHFHAGTWJXAUJCG-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.68
Rot. Bonds4

About 2-methyl-5-methylsulfanylpent-1-en-3-ol

2-methyl-5-methylsulfanylpent-1-en-3-ol (PubChem CID 79177931) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name2-methyl-5-methylsulfanylpent-1-en-3-ol
PubChem CID79177931
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-methyl-5-methylsulfanylpent-1-en-3-ol
SMILESC=C(C)C(O)CCSC
InChIInChI=1S/C7H14OS/c1-6(2)7(8)4-5-9-3/h7-8H,1,4-5H2,2-3H3
InChIKeyHFHAGTWJXAUJCG-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-5-methylsulfanylpent-1-en-3-ol?
The IUPAC name of 2-methyl-5-methylsulfanylpent-1-en-3-ol (CID 79177931) is 2-methyl-5-methylsulfanylpent-1-en-3-ol.
What is the SMILES notation for 2-methyl-5-methylsulfanylpent-1-en-3-ol?
The canonical SMILES for 2-methyl-5-methylsulfanylpent-1-en-3-ol is C=C(C)C(O)CCSC.
What is the InChIKey of 2-methyl-5-methylsulfanylpent-1-en-3-ol?
The InChIKey is HFHAGTWJXAUJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)7(8)4-5-9-3/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 2-methyl-5-methylsulfanylpent-1-en-3-ol?
2-methyl-5-methylsulfanylpent-1-en-3-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-5-methylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 79177931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).