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

C17H34O2Si — CID 173470055

IUPACcyclohexyl 3-ethyl-2-propyl-2-silylhexanoate
SMILESCCCC(CC)C([SiH3])(CCC)C(=O)OC1CCCCC1
InChIInChI=1S/C17H34O2Si/c1-4-10-14(6-3)17(20,13-5-2)16(18)19-15-11-8-7-9-12-15/h14-15H,4-13H2,1-3,20H3
InChIKeyGMZINHLHWWXRGH-UHFFFAOYSA-N
MW298.54 g/mol
LogP4.01
Rot. Bonds8

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

cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate (PubChem CID 173470055) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate.

Molecular Properties

Compound Namecyclohexyl 3-ethyl-2-propyl-2-silylhexanoate
PubChem CID173470055
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Namecyclohexyl 3-ethyl-2-propyl-2-silylhexanoate
SMILESCCCC(CC)C([SiH3])(CCC)C(=O)OC1CCCCC1
InChIInChI=1S/C17H34O2Si/c1-4-10-14(6-3)17(20,13-5-2)16(18)19-15-11-8-7-9-12-15/h14-15H,4-13H2,1-3,20H3
InChIKeyGMZINHLHWWXRGH-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.01
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-cyclohexyl-2-ethyl-2-silylhexanoate
CID 173470078
octyl 3-ethyl-2-propyl-2-silylundecanoate
CID 173470106
cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate
CID 173470117
cyclopentyl 2-aminopentanoate
CID 61278203
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
cyclohexyl 2-methyl-2-propan-2-ylhexanoate
CID 144660072
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
cyclohexyl 2-ethyl-2-propan-2-ylperoxyhexanoate
CID 57072756
cyclohexyl 2-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)propanoate
CID 145213360
cyclohexyl 2-ethoxypentanoate
CID 70132370
dicyclohexyl 2-ethyl-2-(2-ethylhexyl)butanedioate
CID 137405290
dicyclohexyl 2,2-diethylbutanedioate
CID 175265226

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate?
The IUPAC name of cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate (CID 173470055) is cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate.
What is the SMILES notation for cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate?
The canonical SMILES for cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate is CCCC(CC)C([SiH3])(CCC)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate?
The InChIKey is GMZINHLHWWXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-4-10-14(6-3)17(20,13-5-2)16(18)19-15-11-8-7-9-12-15/h14-15H,4-13H2,1-3,20H3.
What are the key properties of cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate?
cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate has a molecular weight of 298.54 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-ethyl-2-propyl-2-silylhexanoate is sourced from PubChem (CID 173470055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).