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

C8H16OS — CID 12507227

IUPAC5-methyl-4-methylsulfanylhex-5-en-3-ol
SMILESC=C(C)C(SC)C(O)CC
InChIInChI=1S/C8H16OS/c1-5-7(9)8(10-4)6(2)3/h7-9H,2,5H2,1,3-4H3
InChIKeyNEVJTZWKAQYIEX-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds4

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

5-methyl-4-methylsulfanylhex-5-en-3-ol (PubChem CID 12507227) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanylhex-5-en-3-ol.

Molecular Properties

Compound Name5-methyl-4-methylsulfanylhex-5-en-3-ol
PubChem CID12507227
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name5-methyl-4-methylsulfanylhex-5-en-3-ol
SMILESC=C(C)C(SC)C(O)CC
InChIInChI=1S/C8H16OS/c1-5-7(9)8(10-4)6(2)3/h7-9H,2,5H2,1,3-4H3
InChIKeyNEVJTZWKAQYIEX-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-4-methylsulfanylhex-5-en-3-ol?
The IUPAC name of 5-methyl-4-methylsulfanylhex-5-en-3-ol (CID 12507227) is 5-methyl-4-methylsulfanylhex-5-en-3-ol.
What is the SMILES notation for 5-methyl-4-methylsulfanylhex-5-en-3-ol?
The canonical SMILES for 5-methyl-4-methylsulfanylhex-5-en-3-ol is C=C(C)C(SC)C(O)CC.
What is the InChIKey of 5-methyl-4-methylsulfanylhex-5-en-3-ol?
The InChIKey is NEVJTZWKAQYIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-5-7(9)8(10-4)6(2)3/h7-9H,2,5H2,1,3-4H3.
What are the key properties of 5-methyl-4-methylsulfanylhex-5-en-3-ol?
5-methyl-4-methylsulfanylhex-5-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-4-methylsulfanylhex-5-en-3-ol is sourced from PubChem (CID 12507227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).