(2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol

C10H18OS — CID 11769251

IUPAC(2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol
SMILESCC(C)=CCC[C@](C)(O)[C@H]1CS1
InChIInChI=1S/C10H18OS/c1-8(2)5-4-6-10(3,11)9-7-12-9/h5,9,11H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyBFRKVSOEQHKSOC-ZJUUUORDSA-N
MW186.32 g/mol
LogP2.60
Rot. Bonds4

About (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol

(2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol (PubChem CID 11769251) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol.

Molecular Properties

Compound Name(2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol
PubChem CID11769251
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol
SMILESCC(C)=CCC[C@](C)(O)[C@H]1CS1
InChIInChI=1S/C10H18OS/c1-8(2)5-4-6-10(3,11)9-7-12-9/h5,9,11H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyBFRKVSOEQHKSOC-ZJUUUORDSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-1-methylsulfanyl-1-methylsulfinyloct-6-en-3-ol
CID 121003476
1-(1,3-Dithian-2-yl)-2,6-dimethylhept-5-en-2-ol
CID 134986107
2,6-Dimethyl-1-methylsulfanylhept-5-en-2-ol
CID 86224258
(3R)-3,7-dimethyl-1-propan-2-ylsulfanyloct-6-en-3-ol
CID 14153383
[3-Methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol
CID 19078688
[3-(4,8-Dimethylnona-3,7-dienyl)-3-methylthiiran-2-yl]methanol
CID 175116540
[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol
CID 46896113
2-Methyl-3-(2-methylprop-1-enyl)thian-3-ol
CID 79951573
4-(4-Methylpent-3-en-1-yl)thian-4-ol
CID 164654091
6-Methyl-3-(4-methylpent-3-en-1-yl)thian-3-ol
CID 164654096
2-Methyl-3-(4-methylpent-3-en-1-yl)thian-3-ol
CID 164654103

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol?
The IUPAC name of (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol (CID 11769251) is (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol.
What is the SMILES notation for (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol?
The canonical SMILES for (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol is CC(C)=CCC[C@](C)(O)[C@H]1CS1.
What is the InChIKey of (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol?
The InChIKey is BFRKVSOEQHKSOC-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(2)5-4-6-10(3,11)9-7-12-9/h5,9,11H,4,6-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol?
(2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol has a molecular weight of 186.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-2-[(2S)-thiiran-2-yl]hept-5-en-2-ol is sourced from PubChem (CID 11769251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).