cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate

C20H38O2Si — CID 173470078

IUPACcyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate
SMILESCCCC(C1CCCCC1)C([SiH3])(CC)C(=O)OC1CCCCC1
InChIInChI=1S/C20H38O2Si/c1-3-11-18(16-12-7-5-8-13-16)20(23,4-2)19(21)22-17-14-9-6-10-15-17/h16-18H,3-15H2,1-2,23H3
InChIKeyFPLORVYVVJTPDN-UHFFFAOYSA-N
MW338.61 g/mol
LogP4.79
Rot. Bonds7

About cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate

cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate (PubChem CID 173470078) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate.

Molecular Properties

Compound Namecyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate
PubChem CID173470078
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Namecyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate
SMILESCCCC(C1CCCCC1)C([SiH3])(CC)C(=O)OC1CCCCC1
InChIInChI=1S/C20H38O2Si/c1-3-11-18(16-12-7-5-8-13-16)20(23,4-2)19(21)22-17-14-9-6-10-15-17/h16-18H,3-15H2,1-2,23H3
InChIKeyFPLORVYVVJTPDN-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.61
LogP ≤ 54.79
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

cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate
CID 173470055
cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate
CID 173470117
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
cyclopentyl 2-aminopentanoate
CID 61278203
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
cyclohexyl 2-ethyl-2-propan-2-ylperoxyhexanoate
CID 57072756
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
dicyclohexyl 2,2-diethylbutanedioate
CID 175265226
cyclohexyl 2-methyl-2-propan-2-ylhexanoate
CID 144660072
cyclohexyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 71201522
cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
CID 145213360
cyclohexyl 2-ethoxypentanoate
CID 70132370

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate?
The IUPAC name of cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate (CID 173470078) is cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate.
What is the SMILES notation for cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate?
The canonical SMILES for cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate is CCCC(C1CCCCC1)C([SiH3])(CC)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate?
The InChIKey is FPLORVYVVJTPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-3-11-18(16-12-7-5-8-13-16)20(23,4-2)19(21)22-17-14-9-6-10-15-17/h16-18H,3-15H2,1-2,23H3.
What are the key properties of cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate?
cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate has a molecular weight of 338.61 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-cyclohexyl-2-ethyl-2-silylhexanoate is sourced from PubChem (CID 173470078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).