3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

C16H28O2Si — CID 10684190

IUPAC3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESC=CCCC1=CCCC(C=O)(O[Si](C)(C)C)C1(C)C
InChIInChI=1S/C16H28O2Si/c1-7-8-10-14-11-9-12-16(13-17,15(14,2)3)18-19(4,5)6/h7,11,13H,1,8-10,12H2,2-6H3
InChIKeyQNGTUWJMELQKHH-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.49
Rot. Bonds6

About 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (PubChem CID 10684190) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
PubChem CID10684190
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESC=CCCC1=CCCC(C=O)(O[Si](C)(C)C)C1(C)C
InChIInChI=1S/C16H28O2Si/c1-7-8-10-14-11-9-12-16(13-17,15(14,2)3)18-19(4,5)6/h7,11,13H,1,8-10,12H2,2-6H3
InChIKeyQNGTUWJMELQKHH-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.49
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde 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

2-[(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-3-enyl]acetaldehyde
CID 134858433
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(cyclohexen-1-yl)pent-4-enal
CID 138969628
2-[Tert-butyl(dimethyl)silyl]oxy-4,4,6,8,12-pentamethylheptadeca-12,16-dienal
CID 153722783
2,2,4-Trimethyl-3-[2-tri(propan-2-yl)silyloxybut-3-enyl]cyclohex-3-ene-1-carbaldehyde
CID 10571724
2,2,4-Trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
CID 10890041
2-Methyl-4-(2,6,6-trimethylcyclohexen-1-yl)-2-trimethylsilyloxybutanal
CID 10979376
3-Ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
CID 11108313
2-Butyl-3,3-dimethyl-2-trimethylsilyloxyhex-5-enal
CID 11231041

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (CID 10684190) is 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is C=CCCC1=CCCC(C=O)(O[Si](C)(C)C)C1(C)C.
What is the InChIKey of 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is QNGTUWJMELQKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-7-8-10-14-11-9-12-16(13-17,15(14,2)3)18-19(4,5)6/h7,11,13H,1,8-10,12H2,2-6H3.
What are the key properties of 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 280.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2,2-dimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 10684190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).