2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane

C49H98O5Si6 — CID 59344093

IUPAC2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane
SMILESC[Si](C)(CCC1CCC(CC[Si](C)(C)O[Si](C)(C)CCC2CCC3CC3C2)C(CC[Si](C)(C)O[Si](C)(C)CCC2CCC3OC3C2)C1)O[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C49H98O5Si6/c1-55(2,52-57(5,6)29-23-40-15-19-46-48(35-40)50-46)27-21-38-13-17-42(25-31-59(9,10)53-56(3,4)28-22-39-14-18-43-37-45(43)34-39)44(33-38)26-32-60(11,12)54-58(7,8)30-24-41-16-20-47-49(36-41)51-47/h38-49H,13-37H2,1-12H3
InChIKeyFXHUQBDFOFMLJD-UHFFFAOYSA-N
MW935.83 g/mol
LogP15.21
Rot. Bonds24

About 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane

2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane (PubChem CID 59344093) has the molecular formula C49H98O5Si6 and a molecular weight of 935.83 g/mol. Its IUPAC name is 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane.

Molecular Properties

Compound Name2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane
PubChem CID59344093
Molecular FormulaC49H98O5Si6
Molecular Weight935.83 g/mol
Exact Mass934.60
IUPAC Name2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane
SMILESC[Si](C)(CCC1CCC(CC[Si](C)(C)O[Si](C)(C)CCC2CCC3CC3C2)C(CC[Si](C)(C)O[Si](C)(C)CCC2CCC3OC3C2)C1)O[Si](C)(C)CCC1CCC2OC2C1
InChIInChI=1S/C49H98O5Si6/c1-55(2,52-57(5,6)29-23-40-15-19-46-48(35-40)50-46)27-21-38-13-17-42(25-31-59(9,10)53-56(3,4)28-22-39-14-18-43-37-45(43)34-39)44(33-38)26-32-60(11,12)54-58(7,8)30-24-41-16-20-47-49(36-41)51-47/h38-49H,13-37H2,1-12H3
InChIKeyFXHUQBDFOFMLJD-UHFFFAOYSA-N
XLogP15.21
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.83
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
The IUPAC name of 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane (CID 59344093) is 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane.
What is the SMILES notation for 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
The canonical SMILES for 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane is C[Si](C)(CCC1CCC(CC[Si](C)(C)O[Si](C)(C)CCC2CCC3CC3C2)C(CC[Si](C)(C)O[Si](C)(C)CCC2CCC3OC3C2)C1)O[Si](C)(C)CCC1CCC2OC2C1.
What is the InChIKey of 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
The InChIKey is FXHUQBDFOFMLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H98O5Si6/c1-55(2,52-57(5,6)29-23-40-15-19-46-48(35-40)50-46)27-21-38-13-17-42(25-31-59(9,10)53-56(3,4)28-22-39-14-18-43-37-45(43)34-39)44(33-38)26-32-60(11,12)54-58(7,8)30-24-41-16-20-47-49(36-41)51-47/h38-49H,13-37H2,1-12H3.
What are the key properties of 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane?
2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane has a molecular weight of 935.83 g/mol, XLogP of 15.21, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[4.1.0]heptanyl)ethyl-[2-[2,4-bis[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]ethyl]cyclohexyl]ethyl-dimethylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 59344093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).