ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate

C20H36O2Si — CID 134916383

IUPACethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate
SMILESCCOC(=O)CC1(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC1
InChIInChI=1S/C20H36O2Si/c1-8-22-19(21)15-20(11-9-10-12-20)13-14-23(16(2)3,17(4)5)18(6)7/h16-18H,8-12,15H2,1-7H3
InChIKeyZHSQQHZIZISWSZ-UHFFFAOYSA-N
MW336.59 g/mol
LogP5.72
Rot. Bonds6

About ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate

ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate (PubChem CID 134916383) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate
PubChem CID134916383
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Nameethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate
SMILESCCOC(=O)CC1(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC1
InChIInChI=1S/C20H36O2Si/c1-8-22-19(21)15-20(11-9-10-12-20)13-14-23(16(2)3,17(4)5)18(6)7/h16-18H,8-12,15H2,1-7H3
InChIKeyZHSQQHZIZISWSZ-UHFFFAOYSA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate?
The IUPAC name of ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate (CID 134916383) is ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate is CCOC(=O)CC1(C#C[Si](C(C)C)(C(C)C)C(C)C)CCCC1.
What is the InChIKey of ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate?
The InChIKey is ZHSQQHZIZISWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-8-22-19(21)15-20(11-9-10-12-20)13-14-23(16(2)3,17(4)5)18(6)7/h16-18H,8-12,15H2,1-7H3.
What are the key properties of ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate?
ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate has a molecular weight of 336.59 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-tri(propan-2-yl)silylethynyl]cyclopentyl]acetate is sourced from PubChem (CID 134916383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).