2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde

C17H32O2Si — CID 57327547

IUPAC2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde
SMILESCC[Si](CC)(CC)O[C@H]1CC(C)=C(CC=O)C(C)(C)C1
InChIInChI=1S/C17H32O2Si/c1-7-20(8-2,9-3)19-15-12-14(4)16(10-11-18)17(5,6)13-15/h11,15H,7-10,12-13H2,1-6H3/t15-/m0/s1
InChIKeyHAVKBBXIDREKOI-HNNXBMFYSA-N
MW296.53 g/mol
LogP5.10
Rot. Bonds7

About 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde

2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde (PubChem CID 57327547) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde
PubChem CID57327547
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde
SMILESCC[Si](CC)(CC)O[C@H]1CC(C)=C(CC=O)C(C)(C)C1
InChIInChI=1S/C17H32O2Si/c1-7-20(8-2,9-3)19-15-12-14(4)16(10-11-18)17(5,6)13-15/h11,15H,7-10,12-13H2,1-6H3/t15-/m0/s1
InChIKeyHAVKBBXIDREKOI-HNNXBMFYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.10
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 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]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-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde?
The IUPAC name of 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde (CID 57327547) is 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde.
What is the SMILES notation for 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde?
The canonical SMILES for 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde is CC[Si](CC)(CC)O[C@H]1CC(C)=C(CC=O)C(C)(C)C1.
What is the InChIKey of 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde?
The InChIKey is HAVKBBXIDREKOI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-7-20(8-2,9-3)19-15-12-14(4)16(10-11-18)17(5,6)13-15/h11,15H,7-10,12-13H2,1-6H3/t15-/m0/s1.
What are the key properties of 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde?
2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde has a molecular weight of 296.53 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,6,6-trimethyl-4-triethylsilyloxycyclohexen-1-yl]acetaldehyde is sourced from PubChem (CID 57327547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).