(1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol

C9H18O2S — CID 131102374

IUPAC(1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol
SMILESC[C@H](O)[C@H]1O[C@@H](C)CC(C)(C)S1
InChIInChI=1S/C9H18O2S/c1-6-5-9(3,4)12-8(11-6)7(2)10/h6-8,10H,5H2,1-4H3/t6-,7-,8-/m0/s1
InChIKeyIHAOEFOTLZASSP-FXQIFTODSA-N
MW190.31 g/mol
LogP2.01
Rot. Bonds1

About (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol

(1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol (PubChem CID 131102374) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol
PubChem CID131102374
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name(1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol
SMILESC[C@H](O)[C@H]1O[C@@H](C)CC(C)(C)S1
InChIInChI=1S/C9H18O2S/c1-6-5-9(3,4)12-8(11-6)7(2)10/h6-8,10H,5H2,1-4H3/t6-,7-,8-/m0/s1
InChIKeyIHAOEFOTLZASSP-FXQIFTODSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol (CID 131102374) is (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol is C[C@H](O)[C@H]1O[C@@H](C)CC(C)(C)S1.
What is the InChIKey of (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol?
The InChIKey is IHAOEFOTLZASSP-FXQIFTODSA-N. The full InChI is InChI=1S/C9H18O2S/c1-6-5-9(3,4)12-8(11-6)7(2)10/h6-8,10H,5H2,1-4H3/t6-,7-,8-/m0/s1.
What are the key properties of (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol?
(1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol has a molecular weight of 190.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol is sourced from PubChem (CID 131102374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).