2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol

C17H26O6 — CID 163947017

IUPAC2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol
SMILESCC1(C)OC(C(OCc2ccccc2)C(C)(CO)CO)[C@H](O)O1
InChIInChI=1S/C17H26O6/c1-16(2)22-13(15(20)23-16)14(17(3,10-18)11-19)21-9-12-7-5-4-6-8-12/h4-8,13-15,18-20H,9-11H2,1-3H3/t13?,14?,15-/m1/s1
InChIKeyRVZRKOYJBUBPGS-YMAMQOFZSA-N
MW326.39 g/mol
LogP1.03
Rot. Bonds7

About 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol

2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol (PubChem CID 163947017) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol
PubChem CID163947017
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol
SMILESCC1(C)OC(C(OCc2ccccc2)C(C)(CO)CO)[C@H](O)O1
InChIInChI=1S/C17H26O6/c1-16(2)22-13(15(20)23-16)14(17(3,10-18)11-19)21-9-12-7-5-4-6-8-12/h4-8,13-15,18-20H,9-11H2,1-3H3/t13?,14?,15-/m1/s1
InChIKeyRVZRKOYJBUBPGS-YMAMQOFZSA-N
XLogP1.03
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol with MolForge

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Related Compounds

(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethane-1,2-diol
CID 54327458
(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 14409479
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
(2R)-2-[(4S,5S)-2,2-dimethyl-5-[(Z)-3-phenylmethoxyprop-1-enyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 10763403
(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol
CID 11461711
(2R)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxyethanol
CID 10892681
(2S)-2-phenylmethoxy-1-piperidin-1-yl-2-[(4S,5R,6S)-2,2,6-trimethyl-5-phenylmethoxy-1,3-dioxan-4-yl]ethanone
CID 11027029
(1R)-1-[(4R,5R)-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 70675862
(4S,5S)-2,2,5-trimethyl-4-[(2R,3S)-4-methyl-3-phenylmethoxypent-4-en-2-yl]-1,3-dioxane
CID 10448601
2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 134930827
(4R,5R)-2,2-dimethyl-4,5-bis[(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylmethoxyethyl]-1,3-dioxolane
CID 10580061
(4S,5S)-2,2-dimethyl-4,5-bis[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenylmethoxyethyl]-1,3-dioxolane
CID 10794279

Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol (CID 163947017) is 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol is CC1(C)OC(C(OCc2ccccc2)C(C)(CO)CO)[C@H](O)O1.
What is the InChIKey of 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol?
The InChIKey is RVZRKOYJBUBPGS-YMAMQOFZSA-N. The full InChI is InChI=1S/C17H26O6/c1-16(2)22-13(15(20)23-16)14(17(3,10-18)11-19)21-9-12-7-5-4-6-8-12/h4-8,13-15,18-20H,9-11H2,1-3H3/t13?,14?,15-/m1/s1.
What are the key properties of 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol?
2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol has a molecular weight of 326.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-5-hydroxy-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 163947017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).