2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde

C17H26O2Si — CID 86006235

IUPAC2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde
SMILESC[Si](C)(C)OC1(CC=O)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26O2Si/c1-20(2,3)19-17(13-14-18)11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyUTKOHAQOOZUQGH-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.52
Rot. Bonds5

About 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde

2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde (PubChem CID 86006235) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde
PubChem CID86006235
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde
SMILESC[Si](C)(C)OC1(CC=O)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26O2Si/c1-20(2,3)19-17(13-14-18)11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3
InChIKeyUTKOHAQOOZUQGH-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.52
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'}

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Related Compounds

6-phenylspiro[2.5]octane
CID 123640963
2-(1-methyl-4-phenylcyclohexyl)acetic acid
CID 169408960
1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid
CID 63688884
benzene;cyclopropylbenzene
CID 144638417
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
cyclopentylbenzene;iron
CID 158512704
methyl 4-(4-chlorophenyl)-1-(2-oxoethyl)cyclohexane-1-carboxylate
CID 86614867
1-(difluoromethyl)-N-ethyl-4-phenylcyclohexan-1-amine
CID 80605631
1-(aminomethyl)-N-methyl-4-phenylcyclohexan-1-amine
CID 62066369
1-(methylaminomethyl)-4-phenylcyclohexan-1-ol
CID 62774871
1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine
CID 122096119
(1S)-3-phenylcyclohexane-1-carbaldehyde
CID 57073826

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde?
The IUPAC name of 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde (CID 86006235) is 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde?
The canonical SMILES for 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde is C[Si](C)(C)OC1(CC=O)CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde?
The InChIKey is UTKOHAQOOZUQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-20(2,3)19-17(13-14-18)11-9-16(10-12-17)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3.
What are the key properties of 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde?
2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde has a molecular weight of 290.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1-trimethylsilyloxycyclohexyl)acetaldehyde is sourced from PubChem (CID 86006235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).