ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate

C19H35FO3Si — CID 102233492

IUPACethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate
SMILESCCOC(=O)/C(F)=C1/CCCC1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H35FO3Si/c1-8-22-19(21)18(20)17-11-9-10-16(17)12-23-24(13(2)3,14(4)5)15(6)7/h13-16H,8-12H2,1-7H3/b18-17+
InChIKeyMULJNBKTFSXOIP-ISLYRVAYSA-N
MW358.57 g/mol
LogP5.77
Rot. Bonds8

About ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate

ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate (PubChem CID 102233492) has the molecular formula C19H35FO3Si and a molecular weight of 358.57 g/mol. Its IUPAC name is ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate
PubChem CID102233492
Molecular FormulaC19H35FO3Si
Molecular Weight358.57 g/mol
Exact Mass358.23
IUPAC Nameethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate
SMILESCCOC(=O)/C(F)=C1/CCCC1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H35FO3Si/c1-8-22-19(21)18(20)17-11-9-10-16(17)12-23-24(13(2)3,14(4)5)15(6)7/h13-16H,8-12H2,1-7H3/b18-17+
InChIKeyMULJNBKTFSXOIP-ISLYRVAYSA-N
XLogP5.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate?
The IUPAC name of ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate (CID 102233492) is ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate?
The canonical SMILES for ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate is CCOC(=O)/C(F)=C1/CCCC1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate?
The InChIKey is MULJNBKTFSXOIP-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H35FO3Si/c1-8-22-19(21)18(20)17-11-9-10-16(17)12-23-24(13(2)3,14(4)5)15(6)7/h13-16H,8-12H2,1-7H3/b18-17+.
What are the key properties of ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate?
ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate has a molecular weight of 358.57 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-fluoro-2-[2-[tri(propan-2-yl)silyloxymethyl]cyclopentylidene]acetate is sourced from PubChem (CID 102233492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).