(1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde

C30H34O2Si — CID 11155267

IUPAC(1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](OCC[C@@H]1C=C(c2ccccc2)C[C@@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34O2Si/c1-30(2,3)33(28-15-9-5-10-16-28,29-17-11-6-12-18-29)32-20-19-25-21-26(22-27(25)23-31)24-13-7-4-8-14-24/h4-18,21,23,25,27H,19-20,22H2,1-3H3/t25-,27-/m1/s1
InChIKeyWYVGYAGHPRNUND-XNMGPUDCSA-N
MW454.69 g/mol
LogP5.87
Rot. Bonds8

About (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde

(1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde (PubChem CID 11155267) has the molecular formula C30H34O2Si and a molecular weight of 454.69 g/mol. Its IUPAC name is (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde
PubChem CID11155267
Molecular FormulaC30H34O2Si
Molecular Weight454.69 g/mol
Exact Mass454.23
IUPAC Name(1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](OCC[C@@H]1C=C(c2ccccc2)C[C@@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34O2Si/c1-30(2,3)33(28-15-9-5-10-16-28,29-17-11-6-12-18-29)32-20-19-25-21-26(22-27(25)23-31)24-13-7-4-8-14-24/h4-18,21,23,25,27H,19-20,22H2,1-3H3/t25-,27-/m1/s1
InChIKeyWYVGYAGHPRNUND-XNMGPUDCSA-N
XLogP5.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.69
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclopentane-1-carbaldehyde
CID 24854156
(5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750450
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
3-[(2S,5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]propanal
CID 11212760
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
2-[(1R,2S,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-[(4-methoxyphenyl)methoxy]cyclopent-3-en-1-yl]acetaldehyde
CID 101412798
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde?
The IUPAC name of (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde (CID 11155267) is (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde.
What is the SMILES notation for (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde?
The canonical SMILES for (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde is CC(C)(C)[Si](OCC[C@@H]1C=C(c2ccccc2)C[C@@H]1C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde?
The InChIKey is WYVGYAGHPRNUND-XNMGPUDCSA-N. The full InChI is InChI=1S/C30H34O2Si/c1-30(2,3)33(28-15-9-5-10-16-28,29-17-11-6-12-18-29)32-20-19-25-21-26(22-27(25)23-31)24-13-7-4-8-14-24/h4-18,21,23,25,27H,19-20,22H2,1-3H3/t25-,27-/m1/s1.
What are the key properties of (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde?
(1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde has a molecular weight of 454.69 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylcyclopent-3-ene-1-carbaldehyde is sourced from PubChem (CID 11155267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).