trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde

C13H26O2Si — CID 11746817

IUPACtrans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1C=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-9-7-6-8-11(12)10-14/h10-12H,6-9H2,1-5H3/t11-,12-/m1/s1
InChIKeyHTTWFXHZXOETLO-VXGBXAGGSA-N
MW242.43 g/mol
LogP3.77
Rot. Bonds3

About trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde

trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde (PubChem CID 11746817) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde
PubChem CID11746817
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametrans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1C=O
InChIInChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-9-7-6-8-11(12)10-14/h10-12H,6-9H2,1-5H3/t11-,12-/m1/s1
InChIKeyHTTWFXHZXOETLO-VXGBXAGGSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.77
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 trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde?
The IUPAC name of trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde (CID 11746817) is trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1C=O.
What is the InChIKey of trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde?
The InChIKey is HTTWFXHZXOETLO-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,3)16(4,5)15-12-9-7-6-8-11(12)10-14/h10-12H,6-9H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde?
trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde has a molecular weight of 242.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 11746817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).