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

C9H18O3 — CID 14705267

IUPAC2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
SMILESC[C@@H]1C[C@H](CCO)OC(C)(C)O1
InChIInChI=1S/C9H18O3/c1-7-6-8(4-5-10)12-9(2,3)11-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyNEYDUNXHFQSHIM-SFYZADRCSA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds2

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

2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol (PubChem CID 14705267) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
PubChem CID14705267
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
SMILESC[C@@H]1C[C@H](CCO)OC(C)(C)O1
InChIInChI=1S/C9H18O3/c1-7-6-8(4-5-10)12-9(2,3)11-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyNEYDUNXHFQSHIM-SFYZADRCSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol with MolForge

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Related Compounds

2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71346024
acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71351284
3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]propanoic acid
CID 14705273
2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol
CID 11506759
methyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
CID 85404971
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
3-[(4R,6S)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]propan-1-ol
CID 134858700
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
tert-butyl 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 68878336
(2R,4S,5R,6R,8R)-2-(2-hydroxyethyl)-8-methyl-1,7-dioxaspiro[5.5]undecane-4,5-diol
CID 16746176
1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone
CID 11579201

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol?
The IUPAC name of 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol (CID 14705267) is 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol?
The canonical SMILES for 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol is C[C@@H]1C[C@H](CCO)OC(C)(C)O1.
What is the InChIKey of 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol?
The InChIKey is NEYDUNXHFQSHIM-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18O3/c1-7-6-8(4-5-10)12-9(2,3)11-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol?
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol is sourced from PubChem (CID 14705267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).