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

C10H20OS — CID 154925733

IUPAC2-[(2R,5S)-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+/m0/s1
InChIKeyXFOGVCZMBNJHTB-VHSXEESVSA-N
MW188.34 g/mol
LogP2.68
Rot. Bonds3

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

2-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol (PubChem CID 154925733) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol
PubChem CID154925733
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-[(2R,5S)-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+/m0/s1
InChIKeyXFOGVCZMBNJHTB-VHSXEESVSA-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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Related Compounds

(Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol
CID 98086898
(2R)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 71426371
trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 130909824
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174920728
2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol
CID 14891127
2-(1-amino-4-propan-2-ylcycloheptyl)ethanol
CID 65240022
1-methyl-4-propan-2-ylcyclohexan-1-ol;octan-1-ol
CID 156700086
2-(1-amino-3-propan-2-ylcyclobutyl)ethanol
CID 103565314
1-methyl-2-propan-2-yl-1-propylcyclobutane
CID 123382647
2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol
CID 66092167
2-[3-(1-aminopropyl)-4,4-dimethylthian-3-yl]ethanol
CID 79955381
2-[1-(ethylamino)-4-propan-2-ylcycloheptyl]ethanol
CID 65234410

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol?
The IUPAC name of 2-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol (CID 154925733) is 2-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol?
The canonical SMILES for 2-[(2R,5S)-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-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol?
The InChIKey is XFOGVCZMBNJHTB-VHSXEESVSA-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+/m0/s1.
What are the key properties of 2-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol?
2-[(2R,5S)-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-[(2R,5S)-2-methyl-5-propan-2-ylthiolan-2-yl]ethanol is sourced from PubChem (CID 154925733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).