(1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde

C16H32O2Si2 — CID 138756387

IUPAC(1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H]([Si](C)(C)C)[C@@H]1C=O
InChIInChI=1S/C16H32O2Si2/c1-16(2,3)20(7,8)18-12-13-9-10-15(14(13)11-17)19(4,5)6/h9-11,13-15H,12H2,1-8H3/t13-,14+,15+/m0/s1
InChIKeyLLSLZVBADVRXOS-RRFJBIMHSA-N
MW312.60 g/mol
LogP4.72
Rot. Bonds5

About (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde

(1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde (PubChem CID 138756387) has the molecular formula C16H32O2Si2 and a molecular weight of 312.60 g/mol. Its IUPAC name is (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde
PubChem CID138756387
Molecular FormulaC16H32O2Si2
Molecular Weight312.60 g/mol
Exact Mass312.19
IUPAC Name(1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H]([Si](C)(C)C)[C@@H]1C=O
InChIInChI=1S/C16H32O2Si2/c1-16(2,3)20(7,8)18-12-13-9-10-15(14(13)11-17)19(4,5)6/h9-11,13-15H,12H2,1-8H3/t13-,14+,15+/m0/s1
InChIKeyLLSLZVBADVRXOS-RRFJBIMHSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.72
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 (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde?
The IUPAC name of (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde (CID 138756387) is (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde.
What is the SMILES notation for (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde?
The canonical SMILES for (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@@H]([Si](C)(C)C)[C@@H]1C=O.
What is the InChIKey of (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde?
The InChIKey is LLSLZVBADVRXOS-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H32O2Si2/c1-16(2,3)20(7,8)18-12-13-9-10-15(14(13)11-17)19(4,5)6/h9-11,13-15H,12H2,1-8H3/t13-,14+,15+/m0/s1.
What are the key properties of (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde?
(1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde has a molecular weight of 312.60 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilylcyclopent-3-ene-1-carbaldehyde is sourced from PubChem (CID 138756387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).