methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate

C22H26O3Si — CID 10926656

IUPACmethyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
SMILESCOC(=O)C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26O3Si/c1-22(2,3)26(19-13-7-5-8-14-19,20-15-9-6-10-16-20)25-18-12-11-17-21(23)24-4/h5-10,13-16H,12,18H2,1-4H3
InChIKeyLZQFDZQCDRLJTL-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.13
Rot. Bonds5

About methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate

methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate (PubChem CID 10926656) has the molecular formula C22H26O3Si and a molecular weight of 366.53 g/mol. Its IUPAC name is methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate.

Molecular Properties

Compound Namemethyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
PubChem CID10926656
Molecular FormulaC22H26O3Si
Molecular Weight366.53 g/mol
Exact Mass366.17
IUPAC Namemethyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
SMILESCOC(=O)C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H26O3Si/c1-22(2,3)26(19-13-7-5-8-14-19,20-15-9-6-10-16-20)25-18-12-11-17-21(23)24-4/h5-10,13-16H,12,18H2,1-4H3
InChIKeyLZQFDZQCDRLJTL-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-one
CID 24795140
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
CID 11082053
(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
CID 24795141
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
6-[tert-butyl(diphenyl)silyl]oxy-1-(2-chloro-3-pyridinyl)hex-2-yn-1-one
CID 153467896

Frequently Asked Questions

What is the IUPAC name of methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate?
The IUPAC name of methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate (CID 10926656) is methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate.
What is the SMILES notation for methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate?
The canonical SMILES for methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate is COC(=O)C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate?
The InChIKey is LZQFDZQCDRLJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3Si/c1-22(2,3)26(19-13-7-5-8-14-19,20-15-9-6-10-16-20)25-18-12-11-17-21(23)24-4/h5-10,13-16H,12,18H2,1-4H3.
What are the key properties of methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate?
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate has a molecular weight of 366.53 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate is sourced from PubChem (CID 10926656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).