[5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

C32H40O6Si — CID 173065798

IUPAC[5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCC1(C)OC2OC(CO)(C(O[SiH](c3ccccc3)c3ccccc3)C(C)(C)C)C(OCc3ccccc3)C2O1
InChIInChI=1S/C32H40O6Si/c1-30(2,3)29(38-39(24-17-11-7-12-18-24)25-19-13-8-14-20-25)32(22-33)27(34-21-23-15-9-6-10-16-23)26-28(37-32)36-31(4,5)35-26/h6-20,26-29,33,39H,21-22H2,1-5H3
InChIKeyKWYUOYYPHIWRSW-UHFFFAOYSA-N
MW548.75 g/mol
LogP3.78
Rot. Bonds9

About [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

[5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (PubChem CID 173065798) has the molecular formula C32H40O6Si and a molecular weight of 548.75 g/mol. Its IUPAC name is [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.

Molecular Properties

Compound Name[5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
PubChem CID173065798
Molecular FormulaC32H40O6Si
Molecular Weight548.75 g/mol
Exact Mass548.26
IUPAC Name[5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
SMILESCC1(C)OC2OC(CO)(C(O[SiH](c3ccccc3)c3ccccc3)C(C)(C)C)C(OCc3ccccc3)C2O1
InChIInChI=1S/C32H40O6Si/c1-30(2,3)29(38-39(24-17-11-7-12-18-24)25-19-13-8-14-20-25)32(22-33)27(34-21-23-15-9-6-10-16-23)26-28(37-32)36-31(4,5)35-26/h6-20,26-29,33,39H,21-22H2,1-5H3
InChIKeyKWYUOYYPHIWRSW-UHFFFAOYSA-N
XLogP3.78
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol with MolForge

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Related Compounds

(1S)-1-[(3aS,5S)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol
CID 174093486
[(3aS,6aS)-5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 140862742
[5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 22177544
[(3aR,5R,6aS)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 158868399
[(3aR,5R,6R,6aR)-5-[(1R)-1-benzoyloxy-2-hydroxyethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl benzoate
CID 23579117
[(3aR,5R,6R)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 70895394
[(3aR,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102183815
(1S)-1-[(3aR,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethanol
CID 159325114
(1'R,5R,6aS)-2,2-dimethyl-6-phenylmethoxyspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,2'-cyclobutane]-1'-ol
CID 164935094
(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
[(5S,6R)-2,2-dimethyl-6-phenylmethoxy-5-(prop-2-enoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 134845331

Frequently Asked Questions

What is the IUPAC name of [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
The IUPAC name of [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (CID 173065798) is [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.
What is the SMILES notation for [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
The canonical SMILES for [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is CC1(C)OC2OC(CO)(C(O[SiH](c3ccccc3)c3ccccc3)C(C)(C)C)C(OCc3ccccc3)C2O1.
What is the InChIKey of [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
The InChIKey is KWYUOYYPHIWRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O6Si/c1-30(2,3)29(38-39(24-17-11-7-12-18-24)25-19-13-8-14-20-25)32(22-33)27(34-21-23-15-9-6-10-16-23)26-28(37-32)36-31(4,5)35-26/h6-20,26-29,33,39H,21-22H2,1-5H3.
What are the key properties of [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?
[5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol has a molecular weight of 548.75 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-diphenylsilyloxy-2,2-dimethylpropyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 173065798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).