[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol

C10H18OS — CID 46896113

IUPAC[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol
SMILESCC(C)=CCC[C@@]1(C)S[C@H]1CO
InChIInChI=1S/C10H18OS/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyYBLWGBIBUOSRHG-VHSXEESVSA-N
MW186.32 g/mol
LogP2.60
Rot. Bonds4

About [(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol

[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol (PubChem CID 46896113) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is [(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol
PubChem CID46896113
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol
SMILESCC(C)=CCC[C@@]1(C)S[C@H]1CO
InChIInChI=1S/C10H18OS/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyYBLWGBIBUOSRHG-VHSXEESVSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol (CID 46896113) is [(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol is CC(C)=CCC[C@@]1(C)S[C@H]1CO.
What is the InChIKey of [(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol?
The InChIKey is YBLWGBIBUOSRHG-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of [(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol?
[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol 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,3R)-3-methyl-3-(4-methylpent-3-enyl)thiiran-2-yl]methanol is sourced from PubChem (CID 46896113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).