2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde

C22H34OSi — CID 139792196

IUPAC2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde
SMILESCCC[Si]1(c2ccccc2)CCC(C2CCC(CC=O)CC2)CC1
InChIInChI=1S/C22H34OSi/c1-2-16-24(22-6-4-3-5-7-22)17-13-21(14-18-24)20-10-8-19(9-11-20)12-15-23/h3-7,15,19-21H,2,8-14,16-18H2,1H3
InChIKeyPGBTXURVWWEONF-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.56
Rot. Bonds6

About 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde

2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde (PubChem CID 139792196) has the molecular formula C22H34OSi and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde
PubChem CID139792196
Molecular FormulaC22H34OSi
Molecular Weight342.60 g/mol
Exact Mass342.24
IUPAC Name2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde
SMILESCCC[Si]1(c2ccccc2)CCC(C2CCC(CC=O)CC2)CC1
InChIInChI=1S/C22H34OSi/c1-2-16-24(22-6-4-3-5-7-22)17-13-21(14-18-24)20-10-8-19(9-11-20)12-15-23/h3-7,15,19-21H,2,8-14,16-18H2,1H3
InChIKeyPGBTXURVWWEONF-UHFFFAOYSA-N
XLogP5.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3-bromopropyl)cyclohexyl]-1-phenyl-1-propylsilinane
CID 22913891
4-(1-butyl-1-phenylsilinan-4-yl)cyclohexane-1-carboxylic acid
CID 23354830
4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
CID 19420002
4-(1-ethyl-1-phenylsilinan-4-yl)cyclohexan-1-one
CID 22412520
1-pentyl-1-phenyl-4-[4-(3,4,5-trifluorophenyl)cyclohexyl]silinane
CID 139725525
4-[4-(2,2-difluoroethoxy)cyclohexyl]-1-pentyl-1-phenylsilinane
CID 86196860
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
1-(4-methylphenyl)-1-propylsilinane
CID 22400994
1,3-diethyl-1,3-diphenyl-1,3-disiletane
CID 139686277
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
ethane;2-(1-phenylpiperidin-3-yl)acetaldehyde
CID 123495598

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde?
The IUPAC name of 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde (CID 139792196) is 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde?
The canonical SMILES for 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde is CCC[Si]1(c2ccccc2)CCC(C2CCC(CC=O)CC2)CC1.
What is the InChIKey of 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde?
The InChIKey is PGBTXURVWWEONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34OSi/c1-2-16-24(22-6-4-3-5-7-22)17-13-21(14-18-24)20-10-8-19(9-11-20)12-15-23/h3-7,15,19-21H,2,8-14,16-18H2,1H3.
What are the key properties of 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde?
2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde has a molecular weight of 342.60 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenyl-1-propylsilinan-4-yl)cyclohexyl]acetaldehyde is sourced from PubChem (CID 139792196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).