[(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane

C27H54O4Si2 — CID 10929179

IUPAC[(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2CC/C=C\CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]2O1
InChIInChI=1S/C27H54O4Si2/c1-25(2,3)32(9,10)30-23-18-16-14-13-15-17-21-22(29-27(7,8)28-21)19-20-24(23)31-33(11,12)26(4,5)6/h13-14,21-24H,15-20H2,1-12H3/b14-13-/t21-,22-,23+,24+/m0/s1
InChIKeyBNMXDVPJCJUXLB-YLQMDSRPSA-N
MW498.90 g/mol
LogP8.20
Rot. Bonds4

About [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane

[(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10929179) has the molecular formula C27H54O4Si2 and a molecular weight of 498.90 g/mol. Its IUPAC name is [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10929179
Molecular FormulaC27H54O4Si2
Molecular Weight498.90 g/mol
Exact Mass498.36
IUPAC Name[(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2CC/C=C\CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]2O1
InChIInChI=1S/C27H54O4Si2/c1-25(2,3)32(9,10)30-23-18-16-14-13-15-17-21-22(29-27(7,8)28-21)19-20-24(23)31-33(11,12)26(4,5)6/h13-14,21-24H,15-20H2,1-12H3/b14-13-/t21-,22-,23+,24+/m0/s1
InChIKeyBNMXDVPJCJUXLB-YLQMDSRPSA-N
XLogP8.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.90
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(E,2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-4-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 44515760
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841870
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841871
tert-butyl-[(2S)-5-[(5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841955
tert-butyl-[(2S)-5-[(4R,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-methyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134842068
tert-butyl-[(2S)-5-[(4R,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134842437
trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
CID 134901649
[(1R)-1-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 135014567
tert-butyl-[(Z,1S)-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enoxy]-dimethylsilane
CID 10251246
tert-butyl-[(Z,1R)-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]non-3-enoxy]-dimethylsilane
CID 10983342
7-(2-Methyl-1,3-dioxolan-2-yl)hept-1-en-4-yloxy-tri(propan-2-yl)silane
CID 11660419
tri(propan-2-yl)-[[(2R,3R,4R,5R)-3,4,5-tris(dec-9-enoxy)oxolan-2-yl]methoxy]silane
CID 150306604

Frequently Asked Questions

What is the IUPAC name of [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane (CID 10929179) is [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane is CC1(C)O[C@H]2CC/C=C\CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]2O1.
What is the InChIKey of [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is BNMXDVPJCJUXLB-YLQMDSRPSA-N. The full InChI is InChI=1S/C27H54O4Si2/c1-25(2,3)32(9,10)30-23-18-16-14-13-15-17-21-22(29-27(7,8)28-21)19-20-24(23)31-33(11,12)26(4,5)6/h13-14,21-24H,15-20H2,1-12H3/b14-13-/t21-,22-,23+,24+/m0/s1.
What are the key properties of [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 498.90 g/mol, XLogP of 8.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6R,7R,10Z,13aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,6,7,8,9,12,13,13a-decahydrocyclododeca[d][1,3]dioxol-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10929179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).