2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate

C9H18O3Si — CID 58989051

IUPAC2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate
SMILESC=C(C)O[Si](C)(C)CCOC(C)=O
InChIInChI=1S/C9H18O3Si/c1-8(2)12-13(4,5)7-6-11-9(3)10/h1,6-7H2,2-5H3
InChIKeySBGUKRQGWLFYDW-UHFFFAOYSA-N
MW202.33 g/mol
LogP2.30
Rot. Bonds5

About 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate

2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate (PubChem CID 58989051) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate.

Molecular Properties

Compound Name2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate
PubChem CID58989051
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate
SMILESC=C(C)O[Si](C)(C)CCOC(C)=O
InChIInChI=1S/C9H18O3Si/c1-8(2)12-13(4,5)7-6-11-9(3)10/h1,6-7H2,2-5H3
InChIKeySBGUKRQGWLFYDW-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate?
The IUPAC name of 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate (CID 58989051) is 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate.
What is the SMILES notation for 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate?
The canonical SMILES for 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate is C=C(C)O[Si](C)(C)CCOC(C)=O.
What is the InChIKey of 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate?
The InChIKey is SBGUKRQGWLFYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-8(2)12-13(4,5)7-6-11-9(3)10/h1,6-7H2,2-5H3.
What are the key properties of 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate?
2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate has a molecular weight of 202.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(prop-1-en-2-yloxy)silyl]ethyl acetate is sourced from PubChem (CID 58989051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).