5-methyl-1-methylsulfanylhex-4-en-3-ol

C8H16OS — CID 79190464

IUPAC5-methyl-1-methylsulfanylhex-4-en-3-ol
SMILESCSCCC(O)C=C(C)C
InChIInChI=1S/C8H16OS/c1-7(2)6-8(9)4-5-10-3/h6,8-9H,4-5H2,1-3H3
InChIKeySVTQSYNKQWQJLS-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds4

About 5-methyl-1-methylsulfanylhex-4-en-3-ol

5-methyl-1-methylsulfanylhex-4-en-3-ol (PubChem CID 79190464) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 5-methyl-1-methylsulfanylhex-4-en-3-ol.

Molecular Properties

Compound Name5-methyl-1-methylsulfanylhex-4-en-3-ol
PubChem CID79190464
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name5-methyl-1-methylsulfanylhex-4-en-3-ol
SMILESCSCCC(O)C=C(C)C
InChIInChI=1S/C8H16OS/c1-7(2)6-8(9)4-5-10-3/h6,8-9H,4-5H2,1-3H3
InChIKeySVTQSYNKQWQJLS-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.07
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 5-methyl-1-methylsulfanylhex-4-en-3-ol?
The IUPAC name of 5-methyl-1-methylsulfanylhex-4-en-3-ol (CID 79190464) is 5-methyl-1-methylsulfanylhex-4-en-3-ol.
What is the SMILES notation for 5-methyl-1-methylsulfanylhex-4-en-3-ol?
The canonical SMILES for 5-methyl-1-methylsulfanylhex-4-en-3-ol is CSCCC(O)C=C(C)C.
What is the InChIKey of 5-methyl-1-methylsulfanylhex-4-en-3-ol?
The InChIKey is SVTQSYNKQWQJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)6-8(9)4-5-10-3/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 5-methyl-1-methylsulfanylhex-4-en-3-ol?
5-methyl-1-methylsulfanylhex-4-en-3-ol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylsulfanylhex-4-en-3-ol is sourced from PubChem (CID 79190464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).