3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde

C18H32O3Si — CID 85087129

IUPAC3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
SMILESCCCCC1=C(C=O)C(C=O)C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H32O3Si/c1-7-8-9-14-10-11-17(16(13-20)15(14)12-19)21-22(5,6)18(2,3)4/h12-13,16-17H,7-11H2,1-6H3
InChIKeyKEVNAJHZSXXLKG-UHFFFAOYSA-N
MW324.54 g/mol
LogP4.67
Rot. Bonds7

About 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde

3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde (PubChem CID 85087129) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
PubChem CID85087129
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Name3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
SMILESCCCCC1=C(C=O)C(C=O)C(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H32O3Si/c1-7-8-9-14-10-11-17(16(13-20)15(14)12-19)21-22(5,6)18(2,3)4/h12-13,16-17H,7-11H2,1-6H3
InChIKeyKEVNAJHZSXXLKG-UHFFFAOYSA-N
XLogP4.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.67
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'}

Analyze 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[Tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
CID 11022379
4-[2-Tri(propan-2-yl)silyloxyethyl]cyclohexene-1,2-dicarbaldehyde
CID 91226156
3-[2-[Tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]-2-methylbut-2-enal
CID 139608745
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-propan-2-ylcyclohexene-1-carbaldehyde
CID 140798037
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-pentan-3-ylcyclohexene-1-carbaldehyde
CID 157169562
(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-propan-2-ylcyclohexene-1-carbaldehyde
CID 173685404
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-octylcyclohex-2-ene-1,2-dicarbaldehyde
CID 9977091
(1S,6S)-3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde
CID 9996398
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethylcyclohex-2-ene-1,2-dicarbaldehyde
CID 10266602
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-pentylcyclohex-2-ene-1,2-dicarbaldehyde
CID 10337236
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-heptylcyclohex-2-ene-1,2-dicarbaldehyde
CID 10338930
(1S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-ene-1,2-dicarbaldehyde
CID 10423926

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde?
The IUPAC name of 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde (CID 85087129) is 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde.
What is the SMILES notation for 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde?
The canonical SMILES for 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde is CCCCC1=C(C=O)C(C=O)C(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde?
The InChIKey is KEVNAJHZSXXLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-7-8-9-14-10-11-17(16(13-20)15(14)12-19)21-22(5,6)18(2,3)4/h12-13,16-17H,7-11H2,1-6H3.
What are the key properties of 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde?
3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde has a molecular weight of 324.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 85087129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).