(E,2R,5R)-5-methylsulfanylnon-3-en-2-ol

C10H20OS — CID 11309991

IUPAC(E,2R,5R)-5-methylsulfanylnon-3-en-2-ol
SMILESCCCC[C@H](/C=C/[C@@H](C)O)SC
InChIInChI=1S/C10H20OS/c1-4-5-6-10(12-3)8-7-9(2)11/h7-11H,4-6H2,1-3H3/b8-7+/t9-,10-/m1/s1
InChIKeySPLLAIKMAQWIAL-WENXHQBNSA-N
MW188.34 g/mol
LogP2.85
Rot. Bonds6

About (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol

(E,2R,5R)-5-methylsulfanylnon-3-en-2-ol (PubChem CID 11309991) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol.

Molecular Properties

Compound Name(E,2R,5R)-5-methylsulfanylnon-3-en-2-ol
PubChem CID11309991
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(E,2R,5R)-5-methylsulfanylnon-3-en-2-ol
SMILESCCCC[C@H](/C=C/[C@@H](C)O)SC
InChIInChI=1S/C10H20OS/c1-4-5-6-10(12-3)8-7-9(2)11/h7-11H,4-6H2,1-3H3/b8-7+/t9-,10-/m1/s1
InChIKeySPLLAIKMAQWIAL-WENXHQBNSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-(isopropylsulfanyl)-1,5-heptadien-4-ol
CID 13263785
(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol
CID 13263786
(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
(1R,6R)-6-methylsulfanylcyclohex-2-en-1-ol
CID 21610096
(E,4S)-7-propylsulfanylhept-2-en-4-ol
CID 59752083
(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 88547643
(4S)-7-propylsulfanylhept-2-en-4-ol
CID 91329442
2-Methylsulfanylnonadec-4-ene-1,3-diol
CID 123213780
3,7-Dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 123680401
1-Cyclohexa-1,3-dien-1-yl-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 123682573
(Z)-7-methylsulfinylhept-3-en-2-ol
CID 135234917
Tert-butyl(trimethyl)-lambda4-sulfane;cyclopent-2-en-1-ol
CID 142254234

Frequently Asked Questions

What is the IUPAC name of (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol?
The IUPAC name of (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol (CID 11309991) is (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol.
What is the SMILES notation for (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol?
The canonical SMILES for (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol is CCCC[C@H](/C=C/[C@@H](C)O)SC.
What is the InChIKey of (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol?
The InChIKey is SPLLAIKMAQWIAL-WENXHQBNSA-N. The full InChI is InChI=1S/C10H20OS/c1-4-5-6-10(12-3)8-7-9(2)11/h7-11H,4-6H2,1-3H3/b8-7+/t9-,10-/m1/s1.
What are the key properties of (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol?
(E,2R,5R)-5-methylsulfanylnon-3-en-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,5R)-5-methylsulfanylnon-3-en-2-ol is sourced from PubChem (CID 11309991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).