(R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol

C30H36O5 — CID 24854395

IUPAC(R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol
SMILESCC1(C)O[C@H]([C@H](O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](CCCOCc2ccccc2)O1
InChIInChI=1S/C30H36O5/c1-30(2)34-26(19-12-20-32-21-23-13-6-3-7-14-23)28(33-22-24-15-8-4-9-16-24)29(35-30)27(31)25-17-10-5-11-18-25/h3-11,13-18,26-29,31H,12,19-22H2,1-2H3/t26-,27-,28-,29-/m1/s1
InChIKeyDPSNCLVCDIWTCO-CXDXLJMYSA-N
MW476.61 g/mol
LogP5.82
Rot. Bonds11

About (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol

(R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol (PubChem CID 24854395) has the molecular formula C30H36O5 and a molecular weight of 476.61 g/mol. Its IUPAC name is (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol
PubChem CID24854395
Molecular FormulaC30H36O5
Molecular Weight476.61 g/mol
Exact Mass476.26
IUPAC Name(R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol
SMILESCC1(C)O[C@H]([C@H](O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](CCCOCc2ccccc2)O1
InChIInChI=1S/C30H36O5/c1-30(2)34-26(19-12-20-32-21-23-13-6-3-7-14-23)28(33-22-24-15-8-4-9-16-24)29(35-30)27(31)25-17-10-5-11-18-25/h3-11,13-18,26-29,31H,12,19-22H2,1-2H3/t26-,27-,28-,29-/m1/s1
InChIKeyDPSNCLVCDIWTCO-CXDXLJMYSA-N
XLogP5.82
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.61
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol with MolForge

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Related Compounds

(R)-[(4R,5S)-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolan-4-yl]-phenylmethanol
CID 46918773
(1R)-1-[(4R,5R)-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 70675862
(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol
CID 102281687
(S)-phenyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 10908343
(4R,5R)-4-heptyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 56594681
(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
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912
(S)-[(4aR,6R,7R,8R,8aS)-2,2,7-trimethyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-[2-[[(4S,5S,6R)-2,2,5-trimethyl-6-(4-phenylmethoxybutyl)-1,3-dioxan-4-yl]methyl]-1,3-dithian-2-yl]methanol
CID 11093856
(1R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 15358783
(4R,5S)-5-[(1R)-1-hydroxy-6-phenylmethoxyhexyl]-N,N,2,2-tetramethyl-1,3-dioxolane-4-carboxamide
CID 51041885
(2R)-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]propan-2-ol
CID 71475919
(6S)-2,2-dimethyl-6-(3-phenylmethoxypropyl)-1,3-dioxane-4-carbonitrile
CID 11460449

Frequently Asked Questions

What is the IUPAC name of (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol?
The IUPAC name of (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol (CID 24854395) is (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol?
The canonical SMILES for (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol is CC1(C)O[C@H]([C@H](O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](CCCOCc2ccccc2)O1.
What is the InChIKey of (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol?
The InChIKey is DPSNCLVCDIWTCO-CXDXLJMYSA-N. The full InChI is InChI=1S/C30H36O5/c1-30(2)34-26(19-12-20-32-21-23-13-6-3-7-14-23)28(33-22-24-15-8-4-9-16-24)29(35-30)27(31)25-17-10-5-11-18-25/h3-11,13-18,26-29,31H,12,19-22H2,1-2H3/t26-,27-,28-,29-/m1/s1.
What are the key properties of (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol?
(R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol has a molecular weight of 476.61 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(4R,5R,6R)-2,2-dimethyl-5-phenylmethoxy-6-(3-phenylmethoxypropyl)-1,3-dioxan-4-yl]-phenylmethanol is sourced from PubChem (CID 24854395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).