2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde

C28H54O6Si2 — CID 10907677

IUPAC2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@]2(CC[C@]3(O[C@@H](CC=O)CC[C@]3(C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C28H54O6Si2/c1-24(2,3)35(8,9)30-21-23-13-12-16-27(31-23)18-19-28(33-27)26(7,17-14-22(32-28)15-20-29)34-36(10,11)25(4,5)6/h20,22-23H,12-19,21H2,1-11H3/t22-,23+,26+,27+,28+/m1/s1
InChIKeyMXPBFNJBKKRJAM-XBMNHCDJSA-N
MW542.91 g/mol
LogP7.33
Rot. Bonds7

About 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde

2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde (PubChem CID 10907677) has the molecular formula C28H54O6Si2 and a molecular weight of 542.91 g/mol. Its IUPAC name is 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde
PubChem CID10907677
Molecular FormulaC28H54O6Si2
Molecular Weight542.91 g/mol
Exact Mass542.35
IUPAC Name2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@]2(CC[C@]3(O[C@@H](CC=O)CC[C@]3(C)O[Si](C)(C)C(C)(C)C)O2)O1
InChIInChI=1S/C28H54O6Si2/c1-24(2,3)35(8,9)30-21-23-13-12-16-27(31-23)18-19-28(33-27)26(7,17-14-22(32-28)15-20-29)34-36(10,11)25(4,5)6/h20,22-23H,12-19,21H2,1-11H3/t22-,23+,26+,27+,28+/m1/s1
InChIKeyMXPBFNJBKKRJAM-XBMNHCDJSA-N
XLogP7.33
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.91
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde with MolForge

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Related Compounds

(2S)-2-[(4S,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanal
CID 21638349
(2S,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-(methoxymethoxy)-4-methylheptanal
CID 25052809
(R)-4-((2S,3S,5S)-5-ethyl-5-((2R,5R,6S)-5-ethyl-6-methyl-5-((triethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)-3-methyltetrahydrofuran-2-yl)hexan-3-one
CID 154731538
2-[(2R,3S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 175882106
2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde
CID 10907405
2-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]acetaldehyde
CID 11180318
(2S)-2-methyl-4-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butanal
CID 11190578
(1R,3S,5R,7R,9R,13R,15S,18S)-7-[tert-butyl(dimethyl)silyl]oxy-13-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-18-methyl-12,19,20-trioxatricyclo[13.3.1.15,9]icosan-11-one
CID 11215249
2-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11308056
1-[(1S,3R,8S,11R,13S,14R)-14-[tert-butyl(dimethyl)silyl]oxy-6,6,13-trimethyl-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-13-yl]propan-2-one
CID 11316679
(2R)-2-methyl-4-[(2R,3S,6S,8S)-3-methyl-2-[3-tri(propan-2-yl)silyloxypropyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butanal
CID 11476909
(5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
CID 11573455

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde?
The IUPAC name of 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde (CID 10907677) is 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde.
What is the SMILES notation for 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde?
The canonical SMILES for 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC[C@]2(CC[C@]3(O[C@@H](CC=O)CC[C@]3(C)O[Si](C)(C)C(C)(C)C)O2)O1.
What is the InChIKey of 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde?
The InChIKey is MXPBFNJBKKRJAM-XBMNHCDJSA-N. The full InChI is InChI=1S/C28H54O6Si2/c1-24(2,3)35(8,9)30-21-23-13-12-16-27(31-23)18-19-28(33-27)26(7,17-14-22(32-28)15-20-29)34-36(10,11)25(4,5)6/h20,22-23H,12-19,21H2,1-11H3/t22-,23+,26+,27+,28+/m1/s1.
What are the key properties of 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde?
2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde has a molecular weight of 542.91 g/mol, XLogP of 7.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6S,8S,10R,13S)-13-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-10-yl]acetaldehyde is sourced from PubChem (CID 10907677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).