but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane

C40H74O2Si2 — CID 91160643

IUPACbut-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane
SMILESC=CCC[Si](OC1CC2CCCCC2C1CCC1C(O[Si](CCC=C)(C(C)C)C(C)C)CC2CCCCC21)(C(C)C)C(C)C
InChIInChI=1S/C40H74O2Si2/c1-11-13-25-43(29(3)4,30(5)6)41-39-27-33-19-15-17-21-35(33)37(39)23-24-38-36-22-18-16-20-34(36)28-40(38)42-44(31(7)8,32(9)10)26-14-12-2/h11-12,29-40H,1-2,13-28H2,3-10H3
InChIKeyHRTUJWSAEABJLH-UHFFFAOYSA-N
MW643.20 g/mol
LogP12.87
Rot. Bonds17

About but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane

but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane (PubChem CID 91160643) has the molecular formula C40H74O2Si2 and a molecular weight of 643.20 g/mol. Its IUPAC name is but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane.

Molecular Properties

Compound Namebut-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane
PubChem CID91160643
Molecular FormulaC40H74O2Si2
Molecular Weight643.20 g/mol
Exact Mass642.52
IUPAC Namebut-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane
SMILESC=CCC[Si](OC1CC2CCCCC2C1CCC1C(O[Si](CCC=C)(C(C)C)C(C)C)CC2CCCCC21)(C(C)C)C(C)C
InChIInChI=1S/C40H74O2Si2/c1-11-13-25-43(29(3)4,30(5)6)41-39-27-33-19-15-17-21-35(33)37(39)23-24-38-36-22-18-16-20-34(36)28-40(38)42-44(31(7)8,32(9)10)26-14-12-2/h11-12,29-40H,1-2,13-28H2,3-10H3
InChIKeyHRTUJWSAEABJLH-UHFFFAOYSA-N
XLogP12.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.20
LogP ≤ 512.87
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'}

Analyze but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane?
The IUPAC name of but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane (CID 91160643) is but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane.
What is the SMILES notation for but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane?
The canonical SMILES for but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane is C=CCC[Si](OC1CC2CCCCC2C1CCC1C(O[Si](CCC=C)(C(C)C)C(C)C)CC2CCCCC21)(C(C)C)C(C)C.
What is the InChIKey of but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane?
The InChIKey is HRTUJWSAEABJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H74O2Si2/c1-11-13-25-43(29(3)4,30(5)6)41-39-27-33-19-15-17-21-35(33)37(39)23-24-38-36-22-18-16-20-34(36)28-40(38)42-44(31(7)8,32(9)10)26-14-12-2/h11-12,29-40H,1-2,13-28H2,3-10H3.
What are the key properties of but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane?
but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane has a molecular weight of 643.20 g/mol, XLogP of 12.87, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-[[1-[2-[2-[but-3-enyl-di(propan-2-yl)silyl]oxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]oxy]-di(propan-2-yl)silane is sourced from PubChem (CID 91160643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).