(3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol

C8H16OS — CID 164671379

IUPAC(3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@H](O)CCSC
InChIInChI=1S/C8H16OS/c1-4-7(2)8(9)5-6-10-3/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m0/s1
InChIKeyFJOYCOSJDHZAPT-JGVFFNPUSA-N
MW160.28 g/mol
LogP1.92
Rot. Bonds5

About (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol

(3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol (PubChem CID 164671379) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol
PubChem CID164671379
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol
SMILESC=C[C@H](C)[C@H](O)CCSC
InChIInChI=1S/C8H16OS/c1-4-7(2)8(9)5-6-10-3/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m0/s1
InChIKeyFJOYCOSJDHZAPT-JGVFFNPUSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.92
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 (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol?
The IUPAC name of (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol (CID 164671379) is (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol.
What is the SMILES notation for (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol?
The canonical SMILES for (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol is C=C[C@H](C)[C@H](O)CCSC.
What is the InChIKey of (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol?
The InChIKey is FJOYCOSJDHZAPT-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16OS/c1-4-7(2)8(9)5-6-10-3/h4,7-9H,1,5-6H2,2-3H3/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol?
(3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol has a molecular weight of 160.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-1-methylsulfanylhex-5-en-3-ol is sourced from PubChem (CID 164671379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).