tri(propan-2-yl)silyl 2-methylbut-2-enoate

C14H28O2Si — CID 174982169

IUPACtri(propan-2-yl)silyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-9-13(8)14(15)16-17(10(2)3,11(4)5)12(6)7/h9-12H,1-8H3
InChIKeyZZRCTTYLJJXADV-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.67
Rot. Bonds5

About tri(propan-2-yl)silyl 2-methylbut-2-enoate

tri(propan-2-yl)silyl 2-methylbut-2-enoate (PubChem CID 174982169) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tri(propan-2-yl)silyl 2-methylbut-2-enoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl 2-methylbut-2-enoate
PubChem CID174982169
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametri(propan-2-yl)silyl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-9-13(8)14(15)16-17(10(2)3,11(4)5)12(6)7/h9-12H,1-8H3
InChIKeyZZRCTTYLJJXADV-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-methylbut-2-enoate?
The IUPAC name of tri(propan-2-yl)silyl 2-methylbut-2-enoate (CID 174982169) is tri(propan-2-yl)silyl 2-methylbut-2-enoate.
What is the SMILES notation for tri(propan-2-yl)silyl 2-methylbut-2-enoate?
The canonical SMILES for tri(propan-2-yl)silyl 2-methylbut-2-enoate is CC=C(C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl 2-methylbut-2-enoate?
The InChIKey is ZZRCTTYLJJXADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-9-13(8)14(15)16-17(10(2)3,11(4)5)12(6)7/h9-12H,1-8H3.
What are the key properties of tri(propan-2-yl)silyl 2-methylbut-2-enoate?
tri(propan-2-yl)silyl 2-methylbut-2-enoate has a molecular weight of 256.46 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl 2-methylbut-2-enoate is sourced from PubChem (CID 174982169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).