(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol

C9H18O3 — CID 130149210

IUPAC(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol
SMILESCC1(C)OCC(C)(C)C(CO)O1
InChIInChI=1S/C9H18O3/c1-8(2)6-11-9(3,4)12-7(8)5-10/h7,10H,5-6H2,1-4H3
InChIKeyRHFVBZSQKKDVHE-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.16
Rot. Bonds1

About (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol

(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol (PubChem CID 130149210) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol.

Molecular Properties

Compound Name(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol
PubChem CID130149210
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol
SMILESCC1(C)OCC(C)(C)C(CO)O1
InChIInChI=1S/C9H18O3/c1-8(2)6-11-9(3,4)12-7(8)5-10/h7,10H,5-6H2,1-4H3
InChIKeyRHFVBZSQKKDVHE-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol
CID 101093882
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
(4S)-2,2,5,5-tetramethyl-1,3-dioxane-4-carboxamide
CID 11252443
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
[(1S,2S,7R)-1,4,4,6-tetramethyl-3,5-dioxabicyclo[5.2.0]nonan-2-yl]methanol
CID 57379413
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;thiohydroxylamine
CID 144515048
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
CID 85125788
[(3aS,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 143157562
3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoic acid
CID 18938517

Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol?
The IUPAC name of (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol (CID 130149210) is (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol.
What is the SMILES notation for (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol?
The canonical SMILES for (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol is CC1(C)OCC(C)(C)C(CO)O1.
What is the InChIKey of (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol?
The InChIKey is RHFVBZSQKKDVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-8(2)6-11-9(3,4)12-7(8)5-10/h7,10H,5-6H2,1-4H3.
What are the key properties of (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol?
(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol has a molecular weight of 174.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol is sourced from PubChem (CID 130149210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).