[(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane

C29H42OSi — CID 59264433

IUPAC[(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane
SMILESC=C[C@H](C)[C@@]1(C)CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C
InChIInChI=1S/C29H42OSi/c1-9-23(2)29(8)21-20-24(28(29,6)7)22-30-31(27(3,4)5,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h9-19,23-24H,1,20-22H2,2-8H3/t23-,24-,29+/m0/s1
InChIKeyQUESGTHBASFIKC-NDIVSWGXSA-N
MW434.74 g/mol
LogP6.83
Rot. Bonds7

About [(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane

[(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 59264433) has the molecular formula C29H42OSi and a molecular weight of 434.74 g/mol. Its IUPAC name is [(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane
PubChem CID59264433
Molecular FormulaC29H42OSi
Molecular Weight434.74 g/mol
Exact Mass434.30
IUPAC Name[(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane
SMILESC=C[C@H](C)[C@@]1(C)CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C
InChIInChI=1S/C29H42OSi/c1-9-23(2)29(8)21-20-24(28(29,6)7)22-30-31(27(3,4)5,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h9-19,23-24H,1,20-22H2,2-8H3/t23-,24-,29+/m0/s1
InChIKeyQUESGTHBASFIKC-NDIVSWGXSA-N
XLogP6.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.74
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane (CID 59264433) is [(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane is C=C[C@H](C)[C@@]1(C)CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C.
What is the InChIKey of [(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is QUESGTHBASFIKC-NDIVSWGXSA-N. The full InChI is InChI=1S/C29H42OSi/c1-9-23(2)29(8)21-20-24(28(29,6)7)22-30-31(27(3,4)5,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h9-19,23-24H,1,20-22H2,2-8H3/t23-,24-,29+/m0/s1.
What are the key properties of [(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane?
[(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 434.74 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[(2S)-but-3-en-2-yl]-2,2,3-trimethylcyclopentyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 59264433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).