(1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde

C41H80O8Si3 — CID 11366291

IUPAC(1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@@H]1C(=O)C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](CC(=O)O[C@H](C=O)C(C)(C)[C@H](O[Si](CC)(CC)CC)C[C@H]1C)O2
InChIInChI=1S/C41H80O8Si3/c1-17-50(18-2,19-3)48-37-23-31(13)40(49-51(20-4,21-5)22-6)34(43)24-33-25-36(47-52(28(7)8,29(9)10)30(11)12)32(14)35(45-33)26-39(44)46-38(27-42)41(37,15)16/h27-33,35-38,40H,17-26H2,1-16H3/t31-,32+,33-,35+,36+,37-,38-,40+/m1/s1
InChIKeyHRBUPIQXHOSEEE-GPTQROFMSA-N
MW785.34 g/mol
LogP10.65
Rot. Bonds16

About (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde

(1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde (PubChem CID 11366291) has the molecular formula C41H80O8Si3 and a molecular weight of 785.34 g/mol. Its IUPAC name is (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde.

Molecular Properties

Compound Name(1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde
PubChem CID11366291
Molecular FormulaC41H80O8Si3
Molecular Weight785.34 g/mol
Exact Mass784.52
IUPAC Name(1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@@H]1C(=O)C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](CC(=O)O[C@H](C=O)C(C)(C)[C@H](O[Si](CC)(CC)CC)C[C@H]1C)O2
InChIInChI=1S/C41H80O8Si3/c1-17-50(18-2,19-3)48-37-23-31(13)40(49-51(20-4,21-5)22-6)34(43)24-33-25-36(47-52(28(7)8,29(9)10)30(11)12)32(14)35(45-33)26-39(44)46-38(27-42)41(37,15)16/h27-33,35-38,40H,17-26H2,1-16H3/t31-,32+,33-,35+,36+,37-,38-,40+/m1/s1
InChIKeyHRBUPIQXHOSEEE-GPTQROFMSA-N
XLogP10.65
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.34
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde with MolForge

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Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 10950338
methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate
CID 11362502
methyl 2-[(2S,3R,4R,5S,6S)-2-acetyl-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]acetate
CID 23631142
methyl (2S)-2-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-6-(2-oxobutyl)oxan-2-yl]-2-methoxyacetate
CID 25170448
[(2S,4S,5S,6R,7R,8R)-4,6,8-trimethyl-9-oxo-2,5,7-tris(triethylsilyloxy)nonyl] 2,2-dimethylpropanoate
CID 135017575
methyl (2S,3S,4R,5S,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-4,6-dimethyl-7-oxoheptanoate
CID 10027982
(2S)-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]-2-triethylsilyloxypropanal
CID 11282224
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 59015192
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 59263960
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal
CID 59891820
methyl (2S,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-4,6-dimethyl-7-oxoheptanoate
CID 89198256
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyacetyl)cyclohexane-1-carboxylate
CID 142335970

Frequently Asked Questions

What is the IUPAC name of (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde?
The IUPAC name of (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde (CID 11366291) is (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde.
What is the SMILES notation for (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde?
The canonical SMILES for (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde is CC[Si](CC)(CC)O[C@@H]1C(=O)C[C@@H]2C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](CC(=O)O[C@H](C=O)C(C)(C)[C@H](O[Si](CC)(CC)CC)C[C@H]1C)O2.
What is the InChIKey of (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde?
The InChIKey is HRBUPIQXHOSEEE-GPTQROFMSA-N. The full InChI is InChI=1S/C41H80O8Si3/c1-17-50(18-2,19-3)48-37-23-31(13)40(49-51(20-4,21-5)22-6)34(43)24-33-25-36(47-52(28(7)8,29(9)10)30(11)12)32(14)35(45-33)26-39(44)46-38(27-42)41(37,15)16/h27-33,35-38,40H,17-26H2,1-16H3/t31-,32+,33-,35+,36+,37-,38-,40+/m1/s1.
What are the key properties of (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde?
(1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde has a molecular weight of 785.34 g/mol, XLogP of 10.65, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7R,9R,10S,13S,15S,16S)-6,6,9,16-tetramethyl-3,11-dioxo-7,10-bis(triethylsilyloxy)-15-tri(propan-2-yl)silyloxy-4,17-dioxabicyclo[11.3.1]heptadecane-5-carbaldehyde is sourced from PubChem (CID 11366291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).