methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate

C20H30O3Si — CID 151312228

IUPACmethyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate
SMILESCC=C1CC(CC(=O)OC)c2ccc(O[Si](C)(C)C(C)(C)C)cc21
InChIInChI=1S/C20H30O3Si/c1-8-14-11-15(12-19(21)22-5)17-10-9-16(13-18(14)17)23-24(6,7)20(2,3)4/h8-10,13,15H,11-12H2,1-7H3
InChIKeyOERDDJRUAKDUKF-UHFFFAOYSA-N
MW346.54 g/mol
LogP5.52
Rot. Bonds4

About methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate

methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate (PubChem CID 151312228) has the molecular formula C20H30O3Si and a molecular weight of 346.54 g/mol. Its IUPAC name is methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate
PubChem CID151312228
Molecular FormulaC20H30O3Si
Molecular Weight346.54 g/mol
Exact Mass346.20
IUPAC Namemethyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate
SMILESCC=C1CC(CC(=O)OC)c2ccc(O[Si](C)(C)C(C)(C)C)cc21
InChIInChI=1S/C20H30O3Si/c1-8-14-11-15(12-19(21)22-5)17-10-9-16(13-18(14)17)23-24(6,7)20(2,3)4/h8-10,13,15H,11-12H2,1-7H3
InChIKeyOERDDJRUAKDUKF-UHFFFAOYSA-N
XLogP5.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate?
The IUPAC name of methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate (CID 151312228) is methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate is CC=C1CC(CC(=O)OC)c2ccc(O[Si](C)(C)C(C)(C)C)cc21.
What is the InChIKey of methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate?
The InChIKey is OERDDJRUAKDUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3Si/c1-8-14-11-15(12-19(21)22-5)17-10-9-16(13-18(14)17)23-24(6,7)20(2,3)4/h8-10,13,15H,11-12H2,1-7H3.
What are the key properties of methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate?
methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate has a molecular weight of 346.54 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[tert-butyl(dimethyl)silyl]oxy-3-ethylidene-1,2-dihydroinden-1-yl]acetate is sourced from PubChem (CID 151312228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).