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

C14H28O2Si — CID 101178619

IUPAC2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H](CC=O)C1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-8-6-7-12(11-13)9-10-15/h10,12-13H,6-9,11H2,1-5H3/t12-,13-/m1/s1
InChIKeyYAXQPGQXMLWRSG-CHWSQXEVSA-N
MW256.46 g/mol
LogP4.16
Rot. Bonds4

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

2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde (PubChem CID 101178619) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde
PubChem CID101178619
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H](CC=O)C1
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-8-6-7-12(11-13)9-10-15/h10,12-13H,6-9,11H2,1-5H3/t12-,13-/m1/s1
InChIKeyYAXQPGQXMLWRSG-CHWSQXEVSA-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-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde?
The IUPAC name of 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde (CID 101178619) is 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde?
The canonical SMILES for 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H](CC=O)C1.
What is the InChIKey of 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde?
The InChIKey is YAXQPGQXMLWRSG-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-13-8-6-7-12(11-13)9-10-15/h10,12-13H,6-9,11H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of 2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde?
2-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]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-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetaldehyde is sourced from PubChem (CID 101178619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).