(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

C39H70O6Si2 — CID 11061458

IUPAC(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
SMILESC=C(C[C@H]1C[C@H](O)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCOCc3ccccc3)O2)O1)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C39H70O6Si2/c1-28(2)47(29(3)4,30(5)6)42-26-32(8)31(7)21-36-22-34(40)24-39(44-36)25-37(45-46(12,13)38(9,10)11)23-35(43-39)19-20-41-27-33-17-15-14-16-18-33/h14-18,28-30,32,34-37,40H,7,19-27H2,1-6,8-13H3/t32-,34-,35-,36-,37-,39-/m0/s1
InChIKeyAPYLGSPEMVIXLS-ULKWFOHQSA-N
MW691.16 g/mol
LogP10.17
Rot. Bonds16

About (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol (PubChem CID 11061458) has the molecular formula C39H70O6Si2 and a molecular weight of 691.16 g/mol. Its IUPAC name is (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
PubChem CID11061458
Molecular FormulaC39H70O6Si2
Molecular Weight691.16 g/mol
Exact Mass690.47
IUPAC Name(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
SMILESC=C(C[C@H]1C[C@H](O)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCOCc3ccccc3)O2)O1)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C39H70O6Si2/c1-28(2)47(29(3)4,30(5)6)42-26-32(8)31(7)21-36-22-34(40)24-39(44-36)25-37(45-46(12,13)38(9,10)11)23-35(43-39)19-20-41-27-33-17-15-14-16-18-33/h14-18,28-30,32,34-37,40H,7,19-27H2,1-6,8-13H3/t32-,34-,35-,36-,37-,39-/m0/s1
InChIKeyAPYLGSPEMVIXLS-ULKWFOHQSA-N
XLogP10.17
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.16
LogP ≤ 510.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol 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

(4R,5R)-2,2-dimethyl-5-octyl-4-(2-phenylmethoxyethyl)-1,3-dioxane
CID 46229558
(2R,3R,4S,5R,6S)-4-heptoxy-2-(2-methylpropyl)-6-phenylmethoxyoxane-3,5-diol
CID 44385937
(2S,3R,4R,5R,6R)-4-heptoxy-5-methoxy-6-(2-methylpropyl)-2-phenylmethoxyoxan-3-ol
CID 44386585
(2S,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(1-phenylpropoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 71716635
2H-Pyran-2-ol, 6-(1,1-dimethylethyl)dimethylsilyloxymethyltetrahydro-3-methoxy-5-(phenylmethoxy)-2-(2-propenyl)-, 2R-(2alpha,3beta,5beta,6alpha)-
CID 90469872
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-6-[(2S,3S)-3-phenyl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185878
(2S,4aS,6R,7S,8R,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 102377688
2-(Trimethylsilyl)ethyl 3-O-benzyl-beta-D-galactopyranoside
CID 10499411
(2R,4S,6R)-2-[[(4S,6R)-6-(bromomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-(2-phenylmethoxyethyl)oxan-4-ol
CID 396369
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 13871830
(E,2R,3S,4R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2,3-bis(phenylmethoxy)oct-6-en-4-ol
CID 10052739
(E,2S,3S,4S,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2,3-bis(phenylmethoxy)oct-6-en-4-ol
CID 10392236

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
The IUPAC name of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol (CID 11061458) is (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is C=C(C[C@H]1C[C@H](O)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCOCc3ccccc3)O2)O1)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
The InChIKey is APYLGSPEMVIXLS-ULKWFOHQSA-N. The full InChI is InChI=1S/C39H70O6Si2/c1-28(2)47(29(3)4,30(5)6)42-26-32(8)31(7)21-36-22-34(40)24-39(44-36)25-37(45-46(12,13)38(9,10)11)23-35(43-39)19-20-41-27-33-17-15-14-16-18-33/h14-18,28-30,32,34-37,40H,7,19-27H2,1-6,8-13H3/t32-,34-,35-,36-,37-,39-/m0/s1.
What are the key properties of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol has a molecular weight of 691.16 g/mol, XLogP of 10.17, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[(3R)-3-methyl-2-methylidene-4-tri(propan-2-yl)silyloxybutyl]-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 11061458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).