[(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane

C25H42O4Si2 — CID 11305775

IUPAC[(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@@H](O1)[C@H](O[Si](C)(C)C(C)(C)C)C#C/C=C\C#C[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O4Si2/c1-23(2,3)30(9,10)28-19-17-15-13-14-16-18-20(29-31(11,12)24(4,5)6)22-21(19)26-25(7,8)27-22/h13-14,19-22H,1-12H3/b14-13-/t19-,20+,21-,22-/m0/s1
InChIKeyVFFHKJQNSNYTAK-YUDZJLGDSA-N
MW462.78 g/mol
LogP5.86
Rot. Bonds4

About [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane

[(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11305775) has the molecular formula C25H42O4Si2 and a molecular weight of 462.78 g/mol. Its IUPAC name is [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11305775
Molecular FormulaC25H42O4Si2
Molecular Weight462.78 g/mol
Exact Mass462.26
IUPAC Name[(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@@H](O1)[C@H](O[Si](C)(C)C(C)(C)C)C#C/C=C\C#C[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O4Si2/c1-23(2,3)30(9,10)28-19-17-15-13-14-16-18-20(29-31(11,12)24(4,5)6)22-21(19)26-25(7,8)27-22/h13-14,19-22H,1-12H3/b14-13-/t19-,20+,21-,22-/m0/s1
InChIKeyVFFHKJQNSNYTAK-YUDZJLGDSA-N
XLogP5.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,4R,5S,6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-4-iodo-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-ol
CID 10787913
(3aS,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7,7a-dihydro-3aH-1,3-benzodioxol-4-one
CID 10913556
(1R,5Z,9R,10S)-9-[tert-butyl(dimethyl)silyl]oxy-11-(2-hydroxyethyl)-11-azabicyclo[8.2.0]dodec-5-en-3,7-diyn-12-one
CID 11024423
4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 14561357
(3aR,4S,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-carboxylic acid
CID 10904185
[(3aR,4S,5S,7aS)-7-bromo-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 11071047
[(3aR,6S,6aR)-5-ethynyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
CID 22831851
[(3aS,4R,5R,6R,6aS)-6-azido-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 10813158
[(3aS,4R,5S,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]methanol
CID 101072259
[(3aS,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10519626
(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4,10-trimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
CID 11057127
(1R)-1-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
CID 11782604

Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane (CID 11305775) is [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane is CC1(C)O[C@@H]2[C@@H](O1)[C@H](O[Si](C)(C)C(C)(C)C)C#C/C=C\C#C[C@@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is VFFHKJQNSNYTAK-YUDZJLGDSA-N. The full InChI is InChI=1S/C25H42O4Si2/c1-23(2,3)30(9,10)28-19-17-15-13-14-16-18-20(29-31(11,12)24(4,5)6)22-21(19)26-25(7,8)27-22/h13-14,19-22H,1-12H3/b14-13-/t19-,20+,21-,22-/m0/s1.
What are the key properties of [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 462.78 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,7Z,11R,11aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,6,9,10-tetradehydro-3a,4,11,11a-tetrahydrocyclodeca[d][1,3]dioxol-11-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11305775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).