4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde

C16H30O2Si — CID 134992135

IUPAC4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC(C)[Si](OC1=CCC(C=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-15(11-17)8-10-16/h9,11-15H,7-8,10H2,1-6H3
InChIKeyRAEFHFXKNIDLSJ-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.06
Rot. Bonds6

About 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde

4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde (PubChem CID 134992135) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
PubChem CID134992135
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC(C)[Si](OC1=CCC(C=O)CC1)(C(C)C)C(C)C
InChIInChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-15(11-17)8-10-16/h9,11-15H,7-8,10H2,1-6H3
InChIKeyRAEFHFXKNIDLSJ-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.06
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

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
3-[Tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 15660281
2-[(1r,5r,6s)-6-(t-Butyldimethylsilyloxy-methyl)-5-methylcyclohex-3-en-1-yl]ethanal
CID 129746583
1-[(1R,2S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylcyclohex-3-en-1-yl]ethanone
CID 134835363
(1R)-1-chloro-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 134857291
1-[(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohex-3-en-1-yl]propan-1-one
CID 134977340
1-Bromo-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 134980506
4-Trimethylsilyloxycyclohex-4-ene-1,2-dicarbaldehyde
CID 135036773
(1S)-1-chloro-4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde
CID 135082758
1-Cyclohexene, 5-acetyl-1-t-butyldimethylsilyloxy-
CID 581348
4-[(Trimethylsilyl)oxy]cyclohex-3-ene-1-carbaldehyde
CID 11830404

Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde (CID 134992135) is 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde is CC(C)[Si](OC1=CCC(C=O)CC1)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is RAEFHFXKNIDLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12(2)19(13(3)4,14(5)6)18-16-9-7-15(11-17)8-10-16/h9,11-15H,7-8,10H2,1-6H3.
What are the key properties of 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde?
4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 282.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silyloxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 134992135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).