ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate

C17H28O3Si — CID 102417757

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate
SMILESC#CCC1(C(=O)OCC)CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-8-12-17(15(18)19-9-2)13-10-11-14(17)20-21(6,7)16(3,4)5/h1,11H,9-10,12-13H2,2-7H3
InChIKeyMQXBCBSERMJHAY-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.26
Rot. Bonds5

About ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate (PubChem CID 102417757) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate
PubChem CID102417757
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate
SMILESC#CCC1(C(=O)OCC)CCC=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-8-12-17(15(18)19-9-2)13-10-11-14(17)20-21(6,7)16(3,4)5/h1,11H,9-10,12-13H2,2-7H3
InChIKeyMQXBCBSERMJHAY-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate (CID 102417757) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate is C#CCC1(C(=O)OCC)CCC=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate?
The InChIKey is MQXBCBSERMJHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-8-12-17(15(18)19-9-2)13-10-11-14(17)20-21(6,7)16(3,4)5/h1,11H,9-10,12-13H2,2-7H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate has a molecular weight of 308.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 102417757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).