[(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol

C16H24O3 — CID 101093882

IUPAC[(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol
SMILESCC1(C)CO[C@@](C)(CCc2ccccc2)O[C@H]1CO
InChIInChI=1S/C16H24O3/c1-15(2)12-18-16(3,19-14(15)11-17)10-9-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-,16+/m0/s1
InChIKeyPIAMOYAMVYZRKO-GOEBONIOSA-N
MW264.36 g/mol
LogP2.77
Rot. Bonds4

About [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol

[(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol (PubChem CID 101093882) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol
PubChem CID101093882
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name[(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol
SMILESCC1(C)CO[C@@](C)(CCc2ccccc2)O[C@H]1CO
InChIInChI=1S/C16H24O3/c1-15(2)12-18-16(3,19-14(15)11-17)10-9-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-,16+/m0/s1
InChIKeyPIAMOYAMVYZRKO-GOEBONIOSA-N
XLogP2.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol with MolForge

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Related Compounds

[2-methyl-2-(2-phenylethyl)-1,3-dioxolan-4-yl]methanamine
CID 82777435
2,5-dimethyl-2-(2-phenylethyl)-1,3-dioxane-5-carbaldehyde
CID 171591221
(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methanol
CID 130149210
[(1R,2R)-2-methyl-2-(2-phenylethyl)cyclopropyl]methanol
CID 10535692
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
3-(2-phenylethyl)oxetan-3-ol
CID 83683318
[(4R,5S)-2,2,5-trimethyl-5-(3-phenylmethoxypropyl)-1,3-dioxolan-4-yl]methanol
CID 10968408
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
3,3,4-trimethyl-1-(2-phenylethyl)-2,6,7-trioxabicyclo[2.2.2]octane
CID 11425500
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol (CID 101093882) is [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol is CC1(C)CO[C@@](C)(CCc2ccccc2)O[C@H]1CO.
What is the InChIKey of [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol?
The InChIKey is PIAMOYAMVYZRKO-GOEBONIOSA-N. The full InChI is InChI=1S/C16H24O3/c1-15(2)12-18-16(3,19-14(15)11-17)10-9-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol?
[(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol has a molecular weight of 264.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2,5,5-trimethyl-2-(2-phenylethyl)-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 101093882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).