2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol

C12H22O3 — CID 11506759

IUPAC2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol
SMILESC[C@H]1C[C@@H]1[C@@H]1C[C@H](CCO)OC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-8-6-10(8)11-7-9(4-5-13)14-12(2,3)15-11/h8-11,13H,4-7H2,1-3H3/t8-,9-,10-,11-/m0/s1
InChIKeyPWBAYAXKSTYDHL-NAKRPEOUSA-N
MW214.30 g/mol
LogP1.93
Rot. Bonds3

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

2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol (PubChem CID 11506759) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol
PubChem CID11506759
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol
SMILESC[C@H]1C[C@@H]1[C@@H]1C[C@H](CCO)OC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-8-6-10(8)11-7-9(4-5-13)14-12(2,3)15-11/h8-11,13H,4-7H2,1-3H3/t8-,9-,10-,11-/m0/s1
InChIKeyPWBAYAXKSTYDHL-NAKRPEOUSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-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
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71351284
tert-butyl 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 68878336
[(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
3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]propanoic acid
CID 14705273
actinium;(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)methanol
CID 18716206
2-[(2S,3R,5R)-5-[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]-3-methyloxolan-2-yl]ethanol
CID 11173275
2-[(4S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethanol
CID 25058663

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol?
The IUPAC name of 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol (CID 11506759) is 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol.
What is the SMILES notation for 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol?
The canonical SMILES for 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol is C[C@H]1C[C@@H]1[C@@H]1C[C@H](CCO)OC(C)(C)O1.
What is the InChIKey of 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol?
The InChIKey is PWBAYAXKSTYDHL-NAKRPEOUSA-N. The full InChI is InChI=1S/C12H22O3/c1-8-6-10(8)11-7-9(4-5-13)14-12(2,3)15-11/h8-11,13H,4-7H2,1-3H3/t8-,9-,10-,11-/m0/s1.
What are the key properties of 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol?
2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol has a molecular weight of 214.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol is sourced from PubChem (CID 11506759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).