tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane

C30H58O2Si2 — CID 99772226

IUPACtert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane
SMILESCC1(C)/C2=C/C[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]3(C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CC2
InChIInChI=1S/C30H58O2Si2/c1-27(2,3)33(10,11)31-25-15-14-20-30(9)24(25)19-18-22-16-17-23(29(22,7)8)21-26(30)32-34(12,13)28(4,5)6/h18,23-26H,14-17,19-21H2,1-13H3/b22-18+/t23-,24+,25+,26-,30-/m1/s1
InChIKeyZKKCZVGGGVUXBT-QXDSHTBMSA-N
MW506.96 g/mol
LogP9.73
Rot. Bonds4

About tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane

tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane (PubChem CID 99772226) has the molecular formula C30H58O2Si2 and a molecular weight of 506.96 g/mol. Its IUPAC name is tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane
PubChem CID99772226
Molecular FormulaC30H58O2Si2
Molecular Weight506.96 g/mol
Exact Mass506.40
IUPAC Nametert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane
SMILESCC1(C)/C2=C/C[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]3(C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CC2
InChIInChI=1S/C30H58O2Si2/c1-27(2,3)33(10,11)31-25-15-14-20-30(9)24(25)19-18-22-16-17-23(29(22,7)8)21-26(30)32-34(12,13)28(4,5)6/h18,23-26H,14-17,19-21H2,1-13H3/b22-18+/t23-,24+,25+,26-,30-/m1/s1
InChIKeyZKKCZVGGGVUXBT-QXDSHTBMSA-N
XLogP9.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.96
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,3S,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl] 2-chloroacetate
CID 99772040
[(1S,3aR,4S,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl] acetate
CID 15168730
[(1Z,3aR,4S,7aS)-1-ethylidene-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11000905
(1R,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-10,11,11-trimethylbicyclo[5.3.1]undec-9-en-2-one
CID 10689364
tert-butyl-[[(5Z)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-dimethylsilane
CID 70005010
(2R)-2-[(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal
CID 102024165
(1S,2R,4R,5R,9R,10S,12S)-5-[tert-butyl(dimethyl)silyl]oxy-9,15,15-trimethyltricyclo[10.2.1.04,9]pentadecane-1,2,10-triol
CID 99772101
(8R,9R,10R,13S,14R,15R,17S)-15,17-bis[[tert-butyl(dimethyl)silyl]oxy]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 134813500
[(1S,4S,7aR)-1-isoquinolin-7-yl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 102234167
[(1R,3aR,4S,7aR)-7a-methyl-1-pent-4-yn-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 174105626
(3a,4-dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
1-[(3S,5S)-5-[4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-5-methyloxolan-3-yl]-2-methylpropan-2-ol
CID 67998305

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane (CID 99772226) is tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane is CC1(C)/C2=C/C[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]3(C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CC2.
What is the InChIKey of tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane?
The InChIKey is ZKKCZVGGGVUXBT-QXDSHTBMSA-N. The full InChI is InChI=1S/C30H58O2Si2/c1-27(2,3)33(10,11)31-25-15-14-20-30(9)24(25)19-18-22-16-17-23(29(22,7)8)21-26(30)32-34(12,13)28(4,5)6/h18,23-26H,14-17,19-21H2,1-13H3/b22-18+/t23-,24+,25+,26-,30-/m1/s1.
What are the key properties of tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane?
tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane has a molecular weight of 506.96 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3R,4R,8S,9R,11E)-8-[tert-butyl(dimethyl)silyl]oxy-4,15,15-trimethyl-3-tricyclo[10.2.1.04,9]pentadec-11-enyl]oxy]-dimethylsilane is sourced from PubChem (CID 99772226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).