[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate

C20H32O3Si — CID 11163883

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate
SMILESC=C(COC(C)=O)C(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O3Si/c1-16(15-22-17(2)21)19(23-24(6,7)20(3,4)5)14-13-18-11-9-8-10-12-18/h8-12,19H,1,13-15H2,2-7H3
InChIKeyJUVCNPOPBABSKL-UHFFFAOYSA-N
MW348.56 g/mol
LogP5.13
Rot. Bonds8

About [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate

[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate (PubChem CID 11163883) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate
PubChem CID11163883
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate
SMILESC=C(COC(C)=O)C(CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32O3Si/c1-16(15-22-17(2)21)19(23-24(6,7)20(3,4)5)14-13-18-11-9-8-10-12-18/h8-12,19H,1,13-15H2,2-7H3
InChIKeyJUVCNPOPBABSKL-UHFFFAOYSA-N
XLogP5.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
(2S)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanoyl]amino]-3-methylbutanoic acid
CID 70085517
tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
CID 101349147
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one
CID 134979384
tert-butyl-dimethyl-[(Z)-4-methylidene-1-phenyldec-5-en-3-yl]oxysilane
CID 11199157
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
CID 131734747
ethyl 3-acetyloxy-2-methylidene-5-phenylpentanoate
CID 102149568
1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate (CID 11163883) is [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate is C=C(COC(C)=O)C(CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate?
The InChIKey is JUVCNPOPBABSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-16(15-22-17(2)21)19(23-24(6,7)20(3,4)5)14-13-18-11-9-8-10-12-18/h8-12,19H,1,13-15H2,2-7H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate?
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate has a molecular weight of 348.56 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate is sourced from PubChem (CID 11163883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).