[(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane

C28H39BrOSi — CID 59264428

IUPAC[(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@]1(C)/C=C/CBr
InChIInChI=1S/C28H39BrOSi/c1-26(2,3)31(24-14-9-7-10-15-24,25-16-11-8-12-17-25)30-22-23-18-20-28(6,19-13-21-29)27(23,4)5/h7-17,19,23H,18,20-22H2,1-6H3/b19-13+/t23-,28-/m0/s1
InChIKeyASUCVQGPBOHRHB-UENCKYPXSA-N
MW499.61 g/mol
LogP6.96
Rot. Bonds7

About [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane

[(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 59264428) has the molecular formula C28H39BrOSi and a molecular weight of 499.61 g/mol. Its IUPAC name is [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane
PubChem CID59264428
Molecular FormulaC28H39BrOSi
Molecular Weight499.61 g/mol
Exact Mass498.20
IUPAC Name[(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@]1(C)/C=C/CBr
InChIInChI=1S/C28H39BrOSi/c1-26(2,3)31(24-14-9-7-10-15-24,25-16-11-8-12-17-25)30-22-23-18-20-28(6,19-13-21-29)27(23,4)5/h7-17,19,23H,18,20-22H2,1-6H3/b19-13+/t23-,28-/m0/s1
InChIKeyASUCVQGPBOHRHB-UENCKYPXSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane (CID 59264428) is [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane is CC1(C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@]1(C)/C=C/CBr.
What is the InChIKey of [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is ASUCVQGPBOHRHB-UENCKYPXSA-N. The full InChI is InChI=1S/C28H39BrOSi/c1-26(2,3)31(24-14-9-7-10-15-24,25-16-11-8-12-17-25)30-22-23-18-20-28(6,19-13-21-29)27(23,4)5/h7-17,19,23H,18,20-22H2,1-6H3/b19-13+/t23-,28-/m0/s1.
What are the key properties of [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane?
[(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 499.61 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[(E)-3-bromoprop-1-enyl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 59264428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).