prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate

C26H34O4Si — CID 58842048

IUPACprop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
SMILESC=CCOC(=O)C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=O
InChIInChI=1S/C26H34O4Si/c1-6-19-29-25(28)24(21(2)27)18-13-20-30-31(26(3,4)5,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-17,24H,1,13,18-20H2,2-5H3
InChIKeyDKMKTNHQHJEIQK-UHFFFAOYSA-N
MW438.64 g/mol
LogP4.28
Rot. Bonds11

About prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate

prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate (PubChem CID 58842048) has the molecular formula C26H34O4Si and a molecular weight of 438.64 g/mol. Its IUPAC name is prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
PubChem CID58842048
Molecular FormulaC26H34O4Si
Molecular Weight438.64 g/mol
Exact Mass438.22
IUPAC Nameprop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
SMILESC=CCOC(=O)C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=O
InChIInChI=1S/C26H34O4Si/c1-6-19-29-25(28)24(21(2)27)18-13-20-30-31(26(3,4)5,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-17,24H,1,13,18-20H2,2-5H3
InChIKeyDKMKTNHQHJEIQK-UHFFFAOYSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.64
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]cycloprop-2-ene-1-carboxylate
CID 102171832
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane;(5S)-8-[tert-butyl(diphenyl)silyl]oxy-5-methyl-3-methylideneoctan-2-one;ethene
CID 160977015
4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-ethenylocta-1,7-dien-3-ol
CID 101058434
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
3-O-benzyl 1-O-tert-butyl 2-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]propanedioate
CID 166561326
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
(4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-1-en-4-ol
CID 11003481
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate?
The IUPAC name of prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate (CID 58842048) is prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate.
What is the SMILES notation for prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate?
The canonical SMILES for prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate is C=CCOC(=O)C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=O.
What is the InChIKey of prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate?
The InChIKey is DKMKTNHQHJEIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4Si/c1-6-19-29-25(28)24(21(2)27)18-13-20-30-31(26(3,4)5,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h6-12,14-17,24H,1,13,18-20H2,2-5H3.
What are the key properties of prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate?
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate has a molecular weight of 438.64 g/mol, XLogP of 4.28, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate is sourced from PubChem (CID 58842048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).