(1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde

C18H32O6Si — CID 11639354

IUPAC(1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde
SMILESCC1(C)O[C@@H]2[C@H]3O[C@](C=O)(CO[Si](C)(C)C(C)(C)C)C[C@H]3OC[C@@H]2O1
InChIInChI=1S/C18H32O6Si/c1-16(2,3)25(6,7)21-11-18(10-19)8-12-14(24-18)15-13(9-20-12)22-17(4,5)23-15/h10,12-15H,8-9,11H2,1-7H3/t12-,13+,14+,15+,18-/m1/s1
InChIKeyVITMOQYDLXTPQX-ZFHCCXERSA-N
MW372.53 g/mol
LogP2.65
Rot. Bonds4

About (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde

(1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde (PubChem CID 11639354) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde.

Molecular Properties

Compound Name(1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde
PubChem CID11639354
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Name(1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde
SMILESCC1(C)O[C@@H]2[C@H]3O[C@](C=O)(CO[Si](C)(C)C(C)(C)C)C[C@H]3OC[C@@H]2O1
InChIInChI=1S/C18H32O6Si/c1-16(2,3)25(6,7)21-11-18(10-19)8-12-14(24-18)15-13(9-20-12)22-17(4,5)23-15/h10,12-15H,8-9,11H2,1-7H3/t12-,13+,14+,15+,18-/m1/s1
InChIKeyVITMOQYDLXTPQX-ZFHCCXERSA-N
XLogP2.65
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 52.65
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 (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde with MolForge

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Related Compounds

methyl (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 17759245
(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
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
(3aR,4R,7aR)-4-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-2,2-diethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-one
CID 10600525
2-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]acetaldehyde
CID 11047004
(2R,3R,5S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-(methoxymethyl)-2-methyloxane-2-carbaldehyde
CID 11256045
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
(1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carboxylic acid
CID 11538323
(5R,7R,8R,9S,10S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
CID 11573455
methyl (1S,2S,6S,9R,11S)-11-(2-ethoxyethoxymethyl)-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 11631862
methyl (1S,2S,6S,9R,11S)-11-formyl-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 11652149
(3S,5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-3-tri(propan-2-yl)silyloxy-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
CID 11774767

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde?
The IUPAC name of (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde (CID 11639354) is (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde.
What is the SMILES notation for (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde?
The canonical SMILES for (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde is CC1(C)O[C@@H]2[C@H]3O[C@](C=O)(CO[Si](C)(C)C(C)(C)C)C[C@H]3OC[C@@H]2O1.
What is the InChIKey of (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde?
The InChIKey is VITMOQYDLXTPQX-ZFHCCXERSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-16(2,3)25(6,7)21-11-18(10-19)8-12-14(24-18)15-13(9-20-12)22-17(4,5)23-15/h10,12-15H,8-9,11H2,1-7H3/t12-,13+,14+,15+,18-/m1/s1.
What are the key properties of (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde?
(1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde has a molecular weight of 372.53 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carbaldehyde is sourced from PubChem (CID 11639354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).