[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane

C41H78O2Si2 — CID 90917273

IUPAC[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane
SMILESC=CC[Si](OC1CC2CCCCC2C1CCC1C(O[Si](CC=C)(C(C)C)C(C)C)CC2CCCCC21)(C(C)C)C(C)C.CCC
InChIInChI=1S/C38H70O2Si2.C3H8/c1-11-23-41(27(3)4,28(5)6)39-37-25-31-17-13-15-19-33(31)35(37)21-22-36-34-20-16-14-18-32(34)26-38(36)40-42(24-12-2,29(7)8)30(9)10;1-3-2/h11-12,27-38H,1-2,13-26H2,3-10H3;3H2,1-2H3
InChIKeyZLRNQGMWPFQNHB-UHFFFAOYSA-N
MW659.25 g/mol
LogP13.51
Rot. Bonds15

About [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane

[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane (PubChem CID 90917273) has the molecular formula C41H78O2Si2 and a molecular weight of 659.25 g/mol. Its IUPAC name is [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane.

Molecular Properties

Compound Name[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane
PubChem CID90917273
Molecular FormulaC41H78O2Si2
Molecular Weight659.25 g/mol
Exact Mass658.55
IUPAC Name[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane
SMILESC=CC[Si](OC1CC2CCCCC2C1CCC1C(O[Si](CC=C)(C(C)C)C(C)C)CC2CCCCC21)(C(C)C)C(C)C.CCC
InChIInChI=1S/C38H70O2Si2.C3H8/c1-11-23-41(27(3)4,28(5)6)39-37-25-31-17-13-15-19-33(31)35(37)21-22-36-34-20-16-14-18-32(34)26-38(36)40-42(24-12-2,29(7)8)30(9)10;1-3-2/h11-12,27-38H,1-2,13-26H2,3-10H3;3H2,1-2H3
InChIKeyZLRNQGMWPFQNHB-UHFFFAOYSA-N
XLogP13.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.25
LogP ≤ 513.51
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 [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane?
The IUPAC name of [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane (CID 90917273) is [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane.
What is the SMILES notation for [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane?
The canonical SMILES for [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane is C=CC[Si](OC1CC2CCCCC2C1CCC1C(O[Si](CC=C)(C(C)C)C(C)C)CC2CCCCC21)(C(C)C)C(C)C.CCC.
What is the InChIKey of [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane?
The InChIKey is ZLRNQGMWPFQNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H70O2Si2.C3H8/c1-11-23-41(27(3)4,28(5)6)39-37-25-31-17-13-15-19-33(31)35(37)21-22-36-34-20-16-14-18-32(34)26-38(36)40-42(24-12-2,29(7)8)30(9)10;1-3-2/h11-12,27-38H,1-2,13-26H2,3-10H3;3H2,1-2H3.
What are the key properties of [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane?
[1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane has a molecular weight of 659.25 g/mol, XLogP of 13.51, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-[di(propan-2-yl)-prop-2-enylsilyl]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)-prop-2-enylsilane;propane is sourced from PubChem (CID 90917273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).