4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane

C34H68O3Si3 — CID 134872600

IUPAC4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1[C@@H]2[C@H](C=C[C@H]1CCC(C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H68O3Si3/c1-19-27-26(21-20-24(2)35-38(13,14)32(4,5)6)22-23-28-29(27)31(37-40(17,18)34(10,11)12)25(3)30(28)36-39(15,16)33(7,8)9/h19,22-31H,1,20-21H2,2-18H3/t24?,25-,26+,27-,28-,29+,30-,31+/m0/s1
InChIKeyGOJXXNZHXFHFEP-GHIGFDFKSA-N
MW609.17 g/mol
LogP10.83
Rot. Bonds10

About 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane

4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane (PubChem CID 134872600) has the molecular formula C34H68O3Si3 and a molecular weight of 609.17 g/mol. Its IUPAC name is 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
PubChem CID134872600
Molecular FormulaC34H68O3Si3
Molecular Weight609.17 g/mol
Exact Mass608.45
IUPAC Name4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1[C@@H]2[C@H](C=C[C@H]1CCC(C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H68O3Si3/c1-19-27-26(21-20-24(2)35-38(13,14)32(4,5)6)22-23-28-29(27)31(37-40(17,18)34(10,11)12)25(3)30(28)36-39(15,16)33(7,8)9/h19,22-31H,1,20-21H2,2-18H3/t24?,25-,26+,27-,28-,29+,30-,31+/m0/s1
InChIKeyGOJXXNZHXFHFEP-GHIGFDFKSA-N
XLogP10.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.17
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[[(1R,2S,3R,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 10894797
tert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 100920342
(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
[(1S,3aR,5S,7aR)-5-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 134899502
[(1S,3S)-5-(cyclohexen-1-yl)-3-methoxy-2,2-dimethylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253915
[(1S,3S)-5-(cyclohexen-1-yl)-2,2-diethyl-3-methoxycyclopentyl]oxy-tri(propan-2-yl)silane
CID 139253916
((2-(7-Methoxyheptyl)-3-(3-methyl-2-butenyl)-4-[(trimethylsilyl)oxy]cyclopentyl)oxy)(trimethyl)silane
CID 603386
Silane, [[4-(3-methyl-2-butenyl)-5-(8-methyl-7-nonenyl)-1,3-cyclopentanediyl]bis(oxy)]bis[trimethyl-
CID 628619
2-Ethyl-3,5-bis(trimethylsilyloxy)-1-[(3-trimethylsilyloxy)-1-propenyl]cyclopentane
CID 5374905
[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11780869
[(E,3S)-1-[(1R,2R,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(2Z)-7-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienyl]cyclopentyl]oct-1-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 15549692
[(2R,3S,3aS,6aS)-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-pent-4-enyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 18609003

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane (CID 134872600) is 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane is C=C[C@@H]1[C@@H]2[C@H](C=C[C@H]1CCC(C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane?
The InChIKey is GOJXXNZHXFHFEP-GHIGFDFKSA-N. The full InChI is InChI=1S/C34H68O3Si3/c1-19-27-26(21-20-24(2)35-38(13,14)32(4,5)6)22-23-28-29(27)31(37-40(17,18)34(10,11)12)25(3)30(28)36-39(15,16)33(7,8)9/h19,22-31H,1,20-21H2,2-18H3/t24?,25-,26+,27-,28-,29+,30-,31+/m0/s1.
What are the key properties of 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane?
4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane has a molecular weight of 609.17 g/mol, XLogP of 10.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134872600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).