(5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one

C20H36O5Si — CID 10786284

IUPAC(5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]2(CCCC[C@@]23CCC(=O)O3)O1
InChIInChI=1S/C20H36O5Si/c1-17(2,3)26(6,7)22-14-15-20(25-18(4,5)23-15)12-9-8-11-19(20)13-10-16(21)24-19/h15H,8-14H2,1-7H3/t15-,19-,20+/m1/s1
InChIKeyXRWRSUNROWWNEL-YSGRDPCXSA-N
MW384.59 g/mol
LogP4.55
Rot. Bonds3

About (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one

(5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one (PubChem CID 10786284) has the molecular formula C20H36O5Si and a molecular weight of 384.59 g/mol. Its IUPAC name is (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one.

Molecular Properties

Compound Name(5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one
PubChem CID10786284
Molecular FormulaC20H36O5Si
Molecular Weight384.59 g/mol
Exact Mass384.23
IUPAC Name(5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one
SMILESCC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]2(CCCC[C@@]23CCC(=O)O3)O1
InChIInChI=1S/C20H36O5Si/c1-17(2,3)26(6,7)22-14-15-20(25-18(4,5)23-15)12-9-8-11-19(20)13-10-16(21)24-19/h15H,8-14H2,1-7H3/t15-,19-,20+/m1/s1
InChIKeyXRWRSUNROWWNEL-YSGRDPCXSA-N
XLogP4.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one with MolForge

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Related Compounds

methyl (2R)-3-[(2S,3R,5S,6S,9R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(2-methylpropan-2-yl)oxy]propanoate
CID 10577338
methyl (2S)-3-[(2R,3S,5R,6S,9R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-2-yl]-2-[(2-methylpropan-2-yl)oxy]propanoate
CID 10839130
(1R,3S,7R,8R,9S,13S,14R,17R)-13-methoxy-8-(methoxymethoxy)-9,13,17-trimethyl-17-triethylsilyloxy-6,18-dioxatricyclo[12.3.1.03,7]octadecan-5-one
CID 135025771
ethyl (5R,6S,10S)-8,8-dimethyl-3-oxo-4,7,9-trioxadispiro[4.0.46.45]tetradecane-10-carboxylate
CID 10615015
(3R,4S,5R)-5-[(R)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-4-methoxy-3-methyloxolan-2-one
CID 10787966
methyl 2-[(3aR,4S,6R,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]acetate
CID 10904443
methyl 2-[(3aR,4R,6R,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]acetate
CID 11013788
(5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxolan-2-one
CID 11187012
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oxolan-2-one
CID 11256446
methyl (2R,3aS,4S,6R,7R,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-7-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-carboxylate
CID 16756916
methyl 2-[(3aS,4S,6R,7aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]acetate
CID 21681559
[(1S,3R,4S,8R,9R,11R)-1-methoxy-11-methyl-6-oxo-3-triethylsilyloxy-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
CID 24754940

Frequently Asked Questions

What is the IUPAC name of (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one?
The IUPAC name of (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one (CID 10786284) is (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one.
What is the SMILES notation for (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one?
The canonical SMILES for (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one is CC1(C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]2(CCCC[C@@]23CCC(=O)O3)O1.
What is the InChIKey of (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one?
The InChIKey is XRWRSUNROWWNEL-YSGRDPCXSA-N. The full InChI is InChI=1S/C20H36O5Si/c1-17(2,3)26(6,7)22-14-15-20(25-18(4,5)23-15)12-9-8-11-19(20)13-10-16(21)24-19/h15H,8-14H2,1-7H3/t15-,19-,20+/m1/s1.
What are the key properties of (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one?
(5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one has a molecular weight of 384.59 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethyl-4,7,9-trioxadispiro[4.0.46.45]tetradecan-3-one is sourced from PubChem (CID 10786284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).