acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol

C12H24O6 — CID 71351284

IUPACacetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
SMILESCC(=O)O.CC1(C)O[C@H](CCO)C[C@H](CCO)O1
InChIInChI=1S/C10H20O4.C2H4O2/c1-10(2)13-8(3-5-11)7-9(14-10)4-6-12;1-2(3)4/h8-9,11-12H,3-7H2,1-2H3;1H3,(H,3,4)/t8-,9+;
InChIKeyGAVCTIRWNUJMCL-UFIFRZAQSA-N
MW264.32 g/mol
LogP0.75
Rot. Bonds4

About acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol

acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol (PubChem CID 71351284) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol.

Molecular Properties

Compound Nameacetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
PubChem CID71351284
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Nameacetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
SMILESCC(=O)O.CC1(C)O[C@H](CCO)C[C@H](CCO)O1
InChIInChI=1S/C10H20O4.C2H4O2/c1-10(2)13-8(3-5-11)7-9(14-10)4-6-12;1-2(3)4/h8-9,11-12H,3-7H2,1-2H3;1H3,(H,3,4)/t8-,9+;
InChIKeyGAVCTIRWNUJMCL-UFIFRZAQSA-N
XLogP0.75
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-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
2-[(4S,6S)-2,2-dimethyl-6-[(1S,2S)-2-methylcyclopropyl]-1,3-dioxan-4-yl]ethanol
CID 11506759
tert-butyl 2-[6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 68878336
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
2-(2,2-dimethyl-1,3-dioxan-4-yl)ethanol
CID 18471524
3-[(4R,6S)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]propan-1-ol
CID 134858700
2-[(4S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethanol
CID 25058663
2-[(4R)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 57485207
2-[(4R,6R)-2,2-dimethyl-6-[2-(methylamino)ethyl]-1,3-dioxan-4-yl]acetic acid
CID 130305937
3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]propanoic acid
CID 14705273

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The IUPAC name of acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol (CID 71351284) is acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol.
What is the SMILES notation for acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The canonical SMILES for acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol is CC(=O)O.CC1(C)O[C@H](CCO)C[C@H](CCO)O1.
What is the InChIKey of acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
The InChIKey is GAVCTIRWNUJMCL-UFIFRZAQSA-N. The full InChI is InChI=1S/C10H20O4.C2H4O2/c1-10(2)13-8(3-5-11)7-9(14-10)4-6-12;1-2(3)4/h8-9,11-12H,3-7H2,1-2H3;1H3,(H,3,4)/t8-,9+;.
What are the key properties of acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol?
acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol has a molecular weight of 264.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol is sourced from PubChem (CID 71351284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).