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

C7H14OS — CID 105110334

IUPAC4-methyl-1-methylsulfanylpent-3-en-2-ol
SMILESCSCC(O)C=C(C)C
InChIInChI=1S/C7H14OS/c1-6(2)4-7(8)5-9-3/h4,7-8H,5H2,1-3H3
InChIKeyVOMBLHCZOLBTKG-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.68
Rot. Bonds3

About 4-methyl-1-methylsulfanylpent-3-en-2-ol

4-methyl-1-methylsulfanylpent-3-en-2-ol (PubChem CID 105110334) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 4-methyl-1-methylsulfanylpent-3-en-2-ol.

Molecular Properties

Compound Name4-methyl-1-methylsulfanylpent-3-en-2-ol
PubChem CID105110334
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name4-methyl-1-methylsulfanylpent-3-en-2-ol
SMILESCSCC(O)C=C(C)C
InChIInChI=1S/C7H14OS/c1-6(2)4-7(8)5-9-3/h4,7-8H,5H2,1-3H3
InChIKeyVOMBLHCZOLBTKG-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

(2,2-Dimethyl-2,5-dihydrothiophen-3-yl)methanol
CID 130127735
3-Methyl-4-(methylsulfanyl)but-2-en-1-ol
CID 155820369
3,6-Dihydro-2H-thiopyran-3-ol
CID 117273071
(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
(E)-5,5,5-trifluoro-1-methylsulfanylpent-3-en-2-ol
CID 144170976
(5,5-dimethyl-2H-thiophen-3-yl)methanol
CID 19003454
(E)-2-methyl-5-methylsulfanylpent-2-en-1-ol
CID 57829359
(3Z)-3-ethylidenethian-4-ol
CID 68033469
(3-Methyl-2,3-dihydrothiophen-5-yl)methanol
CID 70248689
2-Methyl-5-methylsulfanylpent-2-en-1-ol
CID 76577522
(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 88547643
(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol
CID 89139064

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfanylpent-3-en-2-ol?
The IUPAC name of 4-methyl-1-methylsulfanylpent-3-en-2-ol (CID 105110334) is 4-methyl-1-methylsulfanylpent-3-en-2-ol.
What is the SMILES notation for 4-methyl-1-methylsulfanylpent-3-en-2-ol?
The canonical SMILES for 4-methyl-1-methylsulfanylpent-3-en-2-ol is CSCC(O)C=C(C)C.
What is the InChIKey of 4-methyl-1-methylsulfanylpent-3-en-2-ol?
The InChIKey is VOMBLHCZOLBTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)4-7(8)5-9-3/h4,7-8H,5H2,1-3H3.
What are the key properties of 4-methyl-1-methylsulfanylpent-3-en-2-ol?
4-methyl-1-methylsulfanylpent-3-en-2-ol has a molecular weight of 146.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfanylpent-3-en-2-ol is sourced from PubChem (CID 105110334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).