[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol

C9H18O3 — CID 11469364

IUPAC[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
SMILESC[C@@H]1C[C@@](C)(CO)OC(C)(C)O1
InChIInChI=1S/C9H18O3/c1-7-5-9(4,6-10)12-8(2,3)11-7/h7,10H,5-6H2,1-4H3/t7-,9+/m1/s1
InChIKeyISHSXSVYOLITMM-APPZFPTMSA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds1

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

[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol (PubChem CID 11469364) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
PubChem CID11469364
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
SMILESC[C@@H]1C[C@@](C)(CO)OC(C)(C)O1
InChIInChI=1S/C9H18O3/c1-7-5-9(4,6-10)12-8(2,3)11-7/h7,10H,5-6H2,1-4H3/t7-,9+/m1/s1
InChIKeyISHSXSVYOLITMM-APPZFPTMSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol (CID 11469364) is [(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol is C[C@@H]1C[C@@](C)(CO)OC(C)(C)O1.
What is the InChIKey of [(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol?
The InChIKey is ISHSXSVYOLITMM-APPZFPTMSA-N. The full InChI is InChI=1S/C9H18O3/c1-7-5-9(4,6-10)12-8(2,3)11-7/h7,10H,5-6H2,1-4H3/t7-,9+/m1/s1.
What are the key properties of [(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol?
[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 11469364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).