ethyl 3-tri(propan-2-yl)silylprop-2-ynoate

C14H26O2Si — CID 86210757

IUPACethyl 3-tri(propan-2-yl)silylprop-2-ynoate
SMILESCCOC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-8-16-14(15)9-10-17(11(2)3,12(4)5)13(6)7/h11-13H,8H2,1-7H3
InChIKeyPJEZBPMKVNUQEO-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds4

About ethyl 3-tri(propan-2-yl)silylprop-2-ynoate

ethyl 3-tri(propan-2-yl)silylprop-2-ynoate (PubChem CID 86210757) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is ethyl 3-tri(propan-2-yl)silylprop-2-ynoate.

Molecular Properties

Compound Nameethyl 3-tri(propan-2-yl)silylprop-2-ynoate
PubChem CID86210757
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nameethyl 3-tri(propan-2-yl)silylprop-2-ynoate
SMILESCCOC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-8-16-14(15)9-10-17(11(2)3,12(4)5)13(6)7/h11-13H,8H2,1-7H3
InChIKeyPJEZBPMKVNUQEO-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.77
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 3-tri(propan-2-yl)silylprop-2-ynoate?
The IUPAC name of ethyl 3-tri(propan-2-yl)silylprop-2-ynoate (CID 86210757) is ethyl 3-tri(propan-2-yl)silylprop-2-ynoate.
What is the SMILES notation for ethyl 3-tri(propan-2-yl)silylprop-2-ynoate?
The canonical SMILES for ethyl 3-tri(propan-2-yl)silylprop-2-ynoate is CCOC(=O)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl 3-tri(propan-2-yl)silylprop-2-ynoate?
The InChIKey is PJEZBPMKVNUQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-8-16-14(15)9-10-17(11(2)3,12(4)5)13(6)7/h11-13H,8H2,1-7H3.
What are the key properties of ethyl 3-tri(propan-2-yl)silylprop-2-ynoate?
ethyl 3-tri(propan-2-yl)silylprop-2-ynoate has a molecular weight of 254.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-tri(propan-2-yl)silylprop-2-ynoate is sourced from PubChem (CID 86210757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).