2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol

C10H20OS — CID 146048067

IUPAC2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol
SMILESCC(C)[C@H]1CC[C@@](C)(CCO)S1
InChIInChI=1S/C10H20OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9,11H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyXFOGVCZMBNJHTB-ZJUUUORDSA-N
MW188.34 g/mol
LogP2.68
Rot. Bonds3

About 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol

2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol (PubChem CID 146048067) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol
PubChem CID146048067
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol
SMILESCC(C)[C@H]1CC[C@@](C)(CCO)S1
InChIInChI=1S/C10H20OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9,11H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyXFOGVCZMBNJHTB-ZJUUUORDSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol?
The IUPAC name of 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol (CID 146048067) is 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol?
The canonical SMILES for 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol is CC(C)[C@H]1CC[C@@](C)(CCO)S1.
What is the InChIKey of 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol?
The InChIKey is XFOGVCZMBNJHTB-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(2)9-4-5-10(3,12-9)6-7-11/h8-9,11H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol?
2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol has a molecular weight of 188.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol is sourced from PubChem (CID 146048067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).