2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde

C16H32O4Si — CID 86006245

IUPAC2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde
SMILESCC[Si](CC)(CC)OC1(CC=O)CCC(OC)(OC)CC1
InChIInChI=1S/C16H32O4Si/c1-6-21(7-2,8-3)20-15(13-14-17)9-11-16(18-4,19-5)12-10-15/h14H,6-13H2,1-5H3
InChIKeySVLQLBSMZSVERV-UHFFFAOYSA-N
MW316.51 g/mol
LogP3.90
Rot. Bonds9

About 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde

2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde (PubChem CID 86006245) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde
PubChem CID86006245
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde
SMILESCC[Si](CC)(CC)OC1(CC=O)CCC(OC)(OC)CC1
InChIInChI=1S/C16H32O4Si/c1-6-21(7-2,8-3)20-15(13-14-17)9-11-16(18-4,19-5)12-10-15/h14H,6-13H2,1-5H3
InChIKeySVLQLBSMZSVERV-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde?
The IUPAC name of 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde (CID 86006245) is 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde?
The canonical SMILES for 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde is CC[Si](CC)(CC)OC1(CC=O)CCC(OC)(OC)CC1.
What is the InChIKey of 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde?
The InChIKey is SVLQLBSMZSVERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-6-21(7-2,8-3)20-15(13-14-17)9-11-16(18-4,19-5)12-10-15/h14H,6-13H2,1-5H3.
What are the key properties of 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde?
2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde has a molecular weight of 316.51 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethoxy-1-triethylsilyloxycyclohexyl)acetaldehyde is sourced from PubChem (CID 86006245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).