silyl 2,2,2-tricyclohexylacetate

C20H36O2Si — CID 123833910

IUPACsilyl 2,2,2-tricyclohexylacetate
SMILESO=C(O[SiH3])C(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36O2Si/c21-19(22-23)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2,23H3
InChIKeyJFXIHJPSWVWVBO-UHFFFAOYSA-N
MW336.59 g/mol
LogP4.54
Rot. Bonds4

About silyl 2,2,2-tricyclohexylacetate

silyl 2,2,2-tricyclohexylacetate (PubChem CID 123833910) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is silyl 2,2,2-tricyclohexylacetate.

Molecular Properties

Compound Namesilyl 2,2,2-tricyclohexylacetate
PubChem CID123833910
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Namesilyl 2,2,2-tricyclohexylacetate
SMILESO=C(O[SiH3])C(C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H36O2Si/c21-19(22-23)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2,23H3
InChIKeyJFXIHJPSWVWVBO-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.59
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tricyclohexylacetic acid acid
CID 22107302
Dimethyl tricyclo[12.2.2.21,14]icosane-2,13-dicarboxylate
CID 12848461
3-Cyclohexyl-2,2-bis(cyclohexylmethyl)propanoic acid
CID 132505604
4-[2-[4-(4-Butylcyclohexyl)cyclohexyl]pentan-3-yl]-3-fluoro-4-propylcyclohexane-1-carboxylate
CID 19776143
4-[2-[4-(4-Butylcyclohexyl)cyclohexyl]pentan-3-yl]-2-fluoro-4-propylcyclohexane-1-carboxylate
CID 19776159
1-(1,4-Dibutyl-4-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607513
1-(4-Butyl-4-cyclohexyl-1-ethylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607515
1-(4-Butyl-4-cyclohexyl-1-heptylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607516
1-(4-Butyl-4-cyclohexyl-1-hexylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607517
1-(4-Butyl-4-cyclohexyl-1-octylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607519
1-(4-Butyl-4-cyclohexyl-1-pentylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607520
1-(4-Butyl-4-cyclohexyl-1-propylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607521

Frequently Asked Questions

What is the IUPAC name of silyl 2,2,2-tricyclohexylacetate?
The IUPAC name of silyl 2,2,2-tricyclohexylacetate (CID 123833910) is silyl 2,2,2-tricyclohexylacetate.
What is the SMILES notation for silyl 2,2,2-tricyclohexylacetate?
The canonical SMILES for silyl 2,2,2-tricyclohexylacetate is O=C(O[SiH3])C(C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of silyl 2,2,2-tricyclohexylacetate?
The InChIKey is JFXIHJPSWVWVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c21-19(22-23)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2,23H3.
What are the key properties of silyl 2,2,2-tricyclohexylacetate?
silyl 2,2,2-tricyclohexylacetate has a molecular weight of 336.59 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2,2-tricyclohexylacetate is sourced from PubChem (CID 123833910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).