tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate

C18H34O4Si — CID 87706453

IUPACtri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O4Si/c1-13(2)18(20)21-12-10-9-11-17(19)22-23(14(3)4,15(5)6)16(7)8/h14-16H,1,9-12H2,2-8H3
InChIKeyPQXKJTWMTYBVHC-UHFFFAOYSA-N
MW342.55 g/mol
LogP4.99
Rot. Bonds10

About tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate

tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 87706453) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate
PubChem CID87706453
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nametri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H34O4Si/c1-13(2)18(20)21-12-10-9-11-17(19)22-23(14(3)4,15(5)6)16(7)8/h14-16H,1,9-12H2,2-8H3
InChIKeyPQXKJTWMTYBVHC-UHFFFAOYSA-N
XLogP4.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate (CID 87706453) is tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate is C=C(C)C(=O)OCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is PQXKJTWMTYBVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-13(2)18(20)21-12-10-9-11-17(19)22-23(14(3)4,15(5)6)16(7)8/h14-16H,1,9-12H2,2-8H3.
What are the key properties of tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate?
tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 342.55 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl 5-(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 87706453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).