2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde

C14H28O2Si — CID 125449879

IUPAC2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
SMILESC[C@H]1CC[C@@](CC=O)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O2Si/c1-12-7-8-14(11-12,9-10-15)16-17(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3/t12-,14-/m0/s1
InChIKeyNROFZRGLIOPVJW-JSGCOSHPSA-N
MW256.46 g/mol
LogP4.16
Rot. Bonds4

About 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde

2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde (PubChem CID 125449879) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
PubChem CID125449879
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
SMILESC[C@H]1CC[C@@](CC=O)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H28O2Si/c1-12-7-8-14(11-12,9-10-15)16-17(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3/t12-,14-/m0/s1
InChIKeyNROFZRGLIOPVJW-JSGCOSHPSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde?
The IUPAC name of 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde (CID 125449879) is 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde.
What is the SMILES notation for 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde?
The canonical SMILES for 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde is C[C@H]1CC[C@@](CC=O)(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde?
The InChIKey is NROFZRGLIOPVJW-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-12-7-8-14(11-12,9-10-15)16-17(5,6)13(2,3)4/h10,12H,7-9,11H2,1-6H3/t12-,14-/m0/s1.
What are the key properties of 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde?
2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde has a molecular weight of 256.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde is sourced from PubChem (CID 125449879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).