trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde

C14H28O2Si — CID 10729801

IUPACtrans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@H]1C=O
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13-9-7-6-8-12(13)10-15/h10,12-13H,6-9,11H2,1-5H3/t12-,13-/m0/s1
InChIKeyKPOBJVMXTBUXRX-STQMWFEESA-N
MW256.46 g/mol
LogP4.01
Rot. Bonds4

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

trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde (PubChem CID 10729801) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
PubChem CID10729801
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametrans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@H]1C=O
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13-9-7-6-8-12(13)10-15/h10,12-13H,6-9,11H2,1-5H3/t12-,13-/m0/s1
InChIKeyKPOBJVMXTBUXRX-STQMWFEESA-N
XLogP4.01
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 ≤ 54.01
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-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde?
The IUPAC name of trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde (CID 10729801) is trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[C@H]1C=O.
What is the InChIKey of trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde?
The InChIKey is KPOBJVMXTBUXRX-STQMWFEESA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(4,5)16-11-13-9-7-6-8-12(13)10-15/h10,12-13H,6-9,11H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde?
trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde has a molecular weight of 256.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 10729801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).