2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde

C17H34O2Si2 — CID 138756415

IUPAC2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H]([Si](C)(C)C)[C@@H]1CC=O
InChIInChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-13-14-9-10-16(20(4,5)6)15(14)11-12-18/h9-10,12,14-16H,11,13H2,1-8H3/t14-,15+,16+/m0/s1
InChIKeySAHWCZUGOFTESA-ARFHVFGLSA-N
MW326.63 g/mol
LogP5.11
Rot. Bonds6

About 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde

2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde (PubChem CID 138756415) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde
PubChem CID138756415
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H]([Si](C)(C)C)[C@@H]1CC=O
InChIInChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-13-14-9-10-16(20(4,5)6)15(14)11-12-18/h9-10,12,14-16H,11,13H2,1-8H3/t14-,15+,16+/m0/s1
InChIKeySAHWCZUGOFTESA-ARFHVFGLSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 55.11
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde?
The IUPAC name of 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde (CID 138756415) is 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H]([Si](C)(C)C)[C@@H]1CC=O.
What is the InChIKey of 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde?
The InChIKey is SAHWCZUGOFTESA-ARFHVFGLSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-13-14-9-10-16(20(4,5)6)15(14)11-12-18/h9-10,12,14-16H,11,13H2,1-8H3/t14-,15+,16+/m0/s1.
What are the key properties of 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde?
2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde has a molecular weight of 326.63 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-en-1-yl]acetaldehyde is sourced from PubChem (CID 138756415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).