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

C9H18O2S — CID 130142425

IUPAC1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol
SMILESCC1CC(C)(C)OC(C(C)O)S1
InChIInChI=1S/C9H18O2S/c1-6-5-9(3,4)11-8(12-6)7(2)10/h6-8,10H,5H2,1-4H3
InChIKeyIPJDKZNAMIEJLM-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.01
Rot. Bonds1

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

1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol (PubChem CID 130142425) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol.

Molecular Properties

Compound Name1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol
PubChem CID130142425
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol
SMILESCC1CC(C)(C)OC(C(C)O)S1
InChIInChI=1S/C9H18O2S/c1-6-5-9(3,4)11-8(12-6)7(2)10/h6-8,10H,5H2,1-4H3
InChIKeyIPJDKZNAMIEJLM-UHFFFAOYSA-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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Related Compounds

(1S)-1-[(2S,6S)-4,4,6-trimethyl-1,3-oxathian-2-yl]ethanol
CID 131102374
1-(3,3-dimethyloxiran-2-yl)ethanol
CID 10920486
2,3,3,5-tetramethylthiolane
CID 66729958
1,3-dimethyl-4-propan-2-yl-2-oxabicyclo[2.1.1]hexane
CID 176797238
(4R,6S)-4-chloro-2,2,6-trimethyloxane
CID 131845462
(5,6-dimethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 103345318
2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid
CID 154982898
1-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 130146410
1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622611
(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol
CID 66898256
1-[(3S,5R)-8,8-dimethyl-4,7,9-trioxatricyclo[4.3.0.01,3]nonan-5-yl]ethanol
CID 129014651
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460

Frequently Asked Questions

What is the IUPAC name of 1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol?
The IUPAC name of 1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol (CID 130142425) is 1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol.
What is the SMILES notation for 1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol?
The canonical SMILES for 1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol is CC1CC(C)(C)OC(C(C)O)S1.
What is the InChIKey of 1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol?
The InChIKey is IPJDKZNAMIEJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-6-5-9(3,4)11-8(12-6)7(2)10/h6-8,10H,5H2,1-4H3.
What are the key properties of 1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol?
1-(4,6,6-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 1-(4,6,6-trimethyl-1,3-oxathian-2-yl)ethanol is sourced from PubChem (CID 130142425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).