[(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol

C24H31IO4Si — CID 175402820

IUPAC[(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol
SMILESCC1(C)OC2O[C@H](C(O)[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](I)[C@H]2O1
InChIInChI=1S/C24H31IO4Si/c1-23(2,3)30(16-12-8-6-9-13-16,17-14-10-7-11-15-17)21(26)19-18(25)20-22(27-19)29-24(4,5)28-20/h6-15,18-22,26H,1-5H3/t18-,19+,20-,21?,22?/m1/s1
InChIKeyABOAOSPQZZGRFJ-PNLSILQLSA-N
MW538.50 g/mol
LogP3.63
Rot. Bonds4

About [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol

[(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol (PubChem CID 175402820) has the molecular formula C24H31IO4Si and a molecular weight of 538.50 g/mol. Its IUPAC name is [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol.

Molecular Properties

Compound Name[(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol
PubChem CID175402820
Molecular FormulaC24H31IO4Si
Molecular Weight538.50 g/mol
Exact Mass538.10
IUPAC Name[(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol
SMILESCC1(C)OC2O[C@H](C(O)[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](I)[C@H]2O1
InChIInChI=1S/C24H31IO4Si/c1-23(2,3)30(16-12-8-6-9-13-16,17-14-10-7-11-15-17)21(26)19-18(25)20-22(27-19)29-24(4,5)28-20/h6-15,18-22,26H,1-5H3/t18-,19+,20-,21?,22?/m1/s1
InChIKeyABOAOSPQZZGRFJ-PNLSILQLSA-N
XLogP3.63
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,5R,6S,6aR)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 102214663
(3aS,5S,6R,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10960947
[tert-butyl(diphenyl)silyl]methanediol
CID 166018796
(1R)-1-[(3aR,5R)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[dimethyl(phenyl)silyl]ethanol
CID 164671259
(3aR,5S,6R,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11224080
(3aR,5S,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-carbaldehyde
CID 140772714
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
(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
[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methyl acetate
CID 123880109
4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione
CID 134918188
(2S,3R)-3-(dibenzylamino)-3-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propane-1,2-diol
CID 53355406
(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 73056658

Frequently Asked Questions

What is the IUPAC name of [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol?
The IUPAC name of [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol (CID 175402820) is [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol.
What is the SMILES notation for [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol?
The canonical SMILES for [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol is CC1(C)OC2O[C@H](C(O)[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](I)[C@H]2O1.
What is the InChIKey of [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol?
The InChIKey is ABOAOSPQZZGRFJ-PNLSILQLSA-N. The full InChI is InChI=1S/C24H31IO4Si/c1-23(2,3)30(16-12-8-6-9-13-16,17-14-10-7-11-15-17)21(26)19-18(25)20-22(27-19)29-24(4,5)28-20/h6-15,18-22,26H,1-5H3/t18-,19+,20-,21?,22?/m1/s1.
What are the key properties of [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol?
[(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol has a molecular weight of 538.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol is sourced from PubChem (CID 175402820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).