[(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate

C34H48O7Si — CID 23256929

IUPAC[(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCC[C@@]2(CC[C@]3(O[C@@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC[C@]3(C)O)O2)O1
InChIInChI=1S/C34H48O7Si/c1-26(35)37-25-28-13-12-20-33(39-28)22-23-34(41-33)32(5,36)21-18-27(40-34)19-24-38-42(31(2,3)4,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-11,14-17,27-28,36H,12-13,18-25H2,1-5H3/t27-,28+,32+,33-,34+/m1/s1
InChIKeyAYEVHZDALWTDLF-ZGBDUXTNSA-N
MW596.84 g/mol
LogP5.22
Rot. Bonds8

About [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate

[(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate (PubChem CID 23256929) has the molecular formula C34H48O7Si and a molecular weight of 596.84 g/mol. Its IUPAC name is [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate.

Molecular Properties

Compound Name[(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate
PubChem CID23256929
Molecular FormulaC34H48O7Si
Molecular Weight596.84 g/mol
Exact Mass596.32
IUPAC Name[(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCC[C@@]2(CC[C@]3(O[C@@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC[C@]3(C)O)O2)O1
InChIInChI=1S/C34H48O7Si/c1-26(35)37-25-28-13-12-20-33(39-28)22-23-34(41-33)32(5,36)21-18-27(40-34)19-24-38-42(31(2,3)4,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-11,14-17,27-28,36H,12-13,18-25H2,1-5H3/t27-,28+,32+,33-,34+/m1/s1
InChIKeyAYEVHZDALWTDLF-ZGBDUXTNSA-N
XLogP5.22
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.84
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate with MolForge

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Related Compounds

tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
CID 102251326
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
[(3R,5S,7S,9S)-9-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-3-yl]methanol
CID 10815891
[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
ethyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate
CID 102120982
[(3R,7S)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-3-methyloxepan-2-yl] benzoate
CID 71171700
1-[(1S,2S,7S,9S,12R)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[3,5,8,13-tetraoxatricyclo[7.4.0.02,6]tridecane-4,1'-cyclohexane]-12-yl]propan-2-one
CID 157271692
(5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750450
tert-butyl-[2-[(4S,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 10949899
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(1S,3R,5R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,6-dioxabicyclo[3.2.0]heptan-7-one
CID 102044469

Frequently Asked Questions

What is the IUPAC name of [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate?
The IUPAC name of [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate (CID 23256929) is [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate.
What is the SMILES notation for [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate?
The canonical SMILES for [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate is CC(=O)OC[C@@H]1CCC[C@@]2(CC[C@]3(O[C@@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CC[C@]3(C)O)O2)O1.
What is the InChIKey of [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate?
The InChIKey is AYEVHZDALWTDLF-ZGBDUXTNSA-N. The full InChI is InChI=1S/C34H48O7Si/c1-26(35)37-25-28-13-12-20-33(39-28)22-23-34(41-33)32(5,36)21-18-27(40-34)19-24-38-42(31(2,3)4,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-11,14-17,27-28,36H,12-13,18-25H2,1-5H3/t27-,28+,32+,33-,34+/m1/s1.
What are the key properties of [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate?
[(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate has a molecular weight of 596.84 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R,8S,10R,13S)-10-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-13-hydroxy-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methyl acetate is sourced from PubChem (CID 23256929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).