[3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane

C28H54O2Si2 — CID 58666137

IUPAC[3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC1CC(O[Si](C(C)C)(C(C)C)C(C)C)C2C=CC=C(O[Si](C(C)C)(C(C)C)C(C)C)C12
InChIInChI=1S/C28H54O2Si2/c1-18(2)31(19(3)4,20(5)6)29-26-16-14-15-25-27(17-24(13)28(25)26)30-32(21(7)8,22(9)10)23(11)12/h14-16,18-25,27-28H,17H2,1-13H3
InChIKeyXGVIOPVWBJQUEI-UHFFFAOYSA-N
MW478.91 g/mol
LogP9.47
Rot. Bonds10

About [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane

[3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 58666137) has the molecular formula C28H54O2Si2 and a molecular weight of 478.91 g/mol. Its IUPAC name is [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID58666137
Molecular FormulaC28H54O2Si2
Molecular Weight478.91 g/mol
Exact Mass478.37
IUPAC Name[3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC1CC(O[Si](C(C)C)(C(C)C)C(C)C)C2C=CC=C(O[Si](C(C)C)(C(C)C)C(C)C)C12
InChIInChI=1S/C28H54O2Si2/c1-18(2)31(19(3)4,20(5)6)29-26-16-14-15-25-27(17-24(13)28(25)26)30-32(21(7)8,22(9)10)23(11)12/h14-16,18-25,27-28H,17H2,1-13H3
InChIKeyXGVIOPVWBJQUEI-UHFFFAOYSA-N
XLogP9.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.91
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyldimethyl(((1S,3aR,7aS)-7a-methyl-5-((triethylsilyl)oxy)-4-vinyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-yl)oxy)silane
CID 46238476
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
trans-Indan-1,2-diol, bis-TMS
CID 6427270
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630454
[3-[2-[3-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630468
carbanide;dichlorozirconium;bis([3-methanidyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane)
CID 58666136
trimethyl-[(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]silane
CID 59110805
tert-butyl-dimethyl-[(3-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]silane
CID 59879658
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane
CID 59879659
tert-butyl-[(3-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]-dimethylsilane
CID 153243261
trimethyl-[(3-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)oxy]silane
CID 153318145
2,3-dimethylbutan-2-yl-dimethyl-[(1-methyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)oxy]silane
CID 20678368

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane (CID 58666137) is [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane is CC1CC(O[Si](C(C)C)(C(C)C)C(C)C)C2C=CC=C(O[Si](C(C)C)(C(C)C)C(C)C)C12.
What is the InChIKey of [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is XGVIOPVWBJQUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O2Si2/c1-18(2)31(19(3)4,20(5)6)29-26-16-14-15-25-27(17-24(13)28(25)26)30-32(21(7)8,22(9)10)23(11)12/h14-16,18-25,27-28H,17H2,1-13H3.
What are the key properties of [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane?
[3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 478.91 g/mol, XLogP of 9.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-tri(propan-2-yl)silyloxy-2,3,3a,7a-tetrahydro-1H-inden-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 58666137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).