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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Related Compounds

cis-(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)cyclopentane-1-carbonitrile
CID 125449778
tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane
CID 70179351
2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde
CID 86006235
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305445
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305059
tert-butyl-(1,3-dimethylcyclobutyl)oxy-dimethylsilane
CID 174101366
(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 172726101
1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one
CID 123838797
[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine
CID 65052054
tert-butyl-[(1S,2S)-1-ethyl-2-methylcyclopropyl]oxy-dimethylsilane
CID 101080937
[(1R,2R)-1-[(E)-but-2-enoxy]-2-methylcyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11128944

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).