[(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol

C9H18O3 — CID 10678820

IUPAC[(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol
SMILESC[C@@H]1[C@H](C)OC(C)(C)O[C@H]1CO
InChIInChI=1S/C9H18O3/c1-6-7(2)11-9(3,4)12-8(6)5-10/h6-8,10H,5H2,1-4H3/t6-,7+,8+/m1/s1
InChIKeyCGTDYIFUAZUITK-CSMHCCOUSA-N
MW174.24 g/mol
LogP1.15
Rot. Bonds1

About [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol

[(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol (PubChem CID 10678820) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol
PubChem CID10678820
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol
SMILESC[C@@H]1[C@H](C)OC(C)(C)O[C@H]1CO
InChIInChI=1S/C9H18O3/c1-6-7(2)11-9(3,4)12-8(6)5-10/h6-8,10H,5H2,1-4H3/t6-,7+,8+/m1/s1
InChIKeyCGTDYIFUAZUITK-CSMHCCOUSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[(4R,5S)-2,2-dimethyl-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methanol
CID 22887044
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 13091751
(2,2,5,5,7,9a-hexamethyl-7,8-dihydro-3aH-[1,3]dioxolo[4,5-d][1,3,6]trioxocin-8-yl)methanol
CID 166127175
[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanol
CID 11805484
(4R,5S)-4-(bromomethyl)-2,2,5-trimethyl-1,3-dioxolane
CID 12741636
[(4R,5S)-2,2-dimethyl-5-(2-methylprop-1-enyl)-1,3-dioxolan-4-yl]methanol
CID 11217670
[(4S,5S)-2,2-dimethyl-5-[(E)-prop-1-enyl]-1,3-dioxolan-4-yl]methanol
CID 15283501
(2S)-2-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 131019398
[(1R,2S,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl]methanol
CID 101334742
[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol
CID 57379413

Frequently Asked Questions

What is the IUPAC name of [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol (CID 10678820) is [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol is C[C@@H]1[C@H](C)OC(C)(C)O[C@H]1CO.
What is the InChIKey of [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol?
The InChIKey is CGTDYIFUAZUITK-CSMHCCOUSA-N. The full InChI is InChI=1S/C9H18O3/c1-6-7(2)11-9(3,4)12-8(6)5-10/h6-8,10H,5H2,1-4H3/t6-,7+,8+/m1/s1.
What are the key properties of [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol?
[(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol has a molecular weight of 174.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R,6S)-2,2,5,6-tetramethyl-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 10678820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).