2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal

C16H32O2Si — CID 173312396

IUPAC2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal
SMILESCCCCC(C)C(C=O)(O[SiH](C)C)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-5-6-10-14(2)16(13-17,18-19(3)4)15-11-8-7-9-12-15/h13-15,19H,5-12H2,1-4H3
InChIKeyHOFLUQQEPDGLCV-UHFFFAOYSA-N
MW284.52 g/mol
LogP4.33
Rot. Bonds8

About 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal

2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal (PubChem CID 173312396) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal.

Molecular Properties

Compound Name2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal
PubChem CID173312396
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal
SMILESCCCCC(C)C(C=O)(O[SiH](C)C)C1CCCCC1
InChIInChI=1S/C16H32O2Si/c1-5-6-10-14(2)16(13-17,18-19(3)4)15-11-8-7-9-12-15/h13-15,19H,5-12H2,1-4H3
InChIKeyHOFLUQQEPDGLCV-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.33
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'}

Analyze 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal 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-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal?
The IUPAC name of 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal (CID 173312396) is 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal.
What is the SMILES notation for 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal?
The canonical SMILES for 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal is CCCCC(C)C(C=O)(O[SiH](C)C)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal?
The InChIKey is HOFLUQQEPDGLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-5-6-10-14(2)16(13-17,18-19(3)4)15-11-8-7-9-12-15/h13-15,19H,5-12H2,1-4H3.
What are the key properties of 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal?
2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal has a molecular weight of 284.52 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-dimethylsilyloxy-3-methylheptanal is sourced from PubChem (CID 173312396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).