4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde

C11H18O3Si — CID 135036773

IUPAC4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde
SMILESC[Si](C)(C)OC1=CCC(C=O)C(C=O)C1
InChIInChI=1S/C11H18O3Si/c1-15(2,3)14-11-5-4-9(7-12)10(6-11)8-13/h5,7-10H,4,6H2,1-3H3
InChIKeyBRZGYSIDPWFMNQ-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.15
Rot. Bonds4

About 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde

4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde (PubChem CID 135036773) has the molecular formula C11H18O3Si and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde
PubChem CID135036773
Molecular FormulaC11H18O3Si
Molecular Weight226.35 g/mol
Exact Mass226.10
IUPAC Name4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde
SMILESC[Si](C)(C)OC1=CCC(C=O)C(C=O)C1
InChIInChI=1S/C11H18O3Si/c1-15(2,3)14-11-5-4-9(7-12)10(6-11)8-13/h5,7-10H,4,6H2,1-3H3
InChIKeyBRZGYSIDPWFMNQ-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-{4-[(Trimethylsilyl)oxy]cyclohex-3-en-1-yl}ethan-1-one
CID 13939912
1-Methyl-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 10913494
2-[(1r,5r,6s)-6-(t-Butyldimethylsilyloxy-methyl)-5-methylcyclohex-3-en-1-yl]ethanal
CID 129746583
ethyl (1R,6R)-6-formyl-3-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carboxylate
CID 134953400
4-Tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 134992135
ethyl (1R,2S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-2-methylcyclohex-3-ene-1-carboxylate
CID 162414305
4-[(Trimethylsilyl)oxy]cyclohex-3-ene-1-carbaldehyde
CID 11830404
6-[[Tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 14851371
(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 14851372
(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 14851373
(1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 54477410
(1S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-ene-1-carbaldehyde
CID 88454682

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde?
The IUPAC name of 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde (CID 135036773) is 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde.
What is the SMILES notation for 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde?
The canonical SMILES for 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde is C[Si](C)(C)OC1=CCC(C=O)C(C=O)C1.
What is the InChIKey of 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde?
The InChIKey is BRZGYSIDPWFMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3Si/c1-15(2,3)14-11-5-4-9(7-12)10(6-11)8-13/h5,7-10H,4,6H2,1-3H3.
What are the key properties of 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde?
4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde has a molecular weight of 226.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 135036773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).